Geometry & MOs

Info

ID:

189380

PubChem CID:

77847784

Reduced:

ClO2N9C23H32 (1)

Stoich.:

AB2C9D23E32 (1)

Weight, g/mol:

475.193215

ΔHf, kcal/mol:

-43.22

Dipole, Da:

6.1

IP(EA), eV:

 -9.02(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[7-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]benzonitrile

Drug info:

PubChemData

Smile

CC(C)NC(=O)N1CCC(CC1)(CC2=CC=CC=C2)CN=C(N)NC(=O)C3=C(N=C(C(=N3)Cl)N)N

DOS

IR

Vibrations