Geometry & MOs

Info

ID:	151439
PubChem CID:	53801282
Reduced:	ON2C9H12 (1)
Stoich.:	AB2C9D12 (1)
Weight, g/mol:	527.300873
ΔH_f, kcal/mol:	22.03
Dipole, Da:	2.26
IP(EA), eV:	-9.12(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-acetyl-7-methylcycloheptyl)-4-butyl-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]pyridin-3-yl]methyl]imidazol-2-one

Drug info:

PubChemData

Smile

CCON=CC1=NC=C(C=C1)C

DOS

IR

Vibrations