Geometry & MOs

Info

ID:

448886

PubChem CID:

135294292

Reduced:

FNC24H24 (1)

Stoich.:

ABC24D24 (1)

Weight, g/mol:

536.318498

ΔHf, kcal/mol:

4.98

Dipole, Da:

1.89

IP(EA), eV:

 -8.71(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1S)-1-(5-methoxythiophen-2-yl)-3-[7-[(Z)-(6-methyl-3-propan-2-yl-4H-pyridazin-5-ylidene)methyl]-4-azatricyclo[3.3.0.01,3]octan-4-yl]propyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)C)C2=C(C=C(C=C2)C3=CC=CC=C3)CCC(=C)N

DOS

IR

Vibrations