Geometry & MOs

Info

ID:

184092

PubChem CID:

77107123

Reduced:

NOC10H11 (2)

Stoich.:

ABC10D11 (2)

Weight, g/mol:

685.237285

ΔHf, kcal/mol:

-28.41

Dipole, Da:

4.56

IP(EA), eV:

 -9.11(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[8-amino-3-[(7R,9aS)-4-oxo-2-(pyridine-4-carbonyl)-3,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-7-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CC(C2=C(C1)C=CC(=C2)C3CC3)CNC4=C(C=CN=C4)C(=O)O

DOS

IR

Vibrations