Geometry & MOs

Info

ID:	148948
PubChem CID:	53788618
Reduced:	Cl2O3N5C31H41 (1)
Stoich.:	A2B3C5D31E41 (1)
Weight, g/mol:	485.290309
ΔH_f, kcal/mol:	-108.81
Dipole, Da:	6.84
IP(EA), eV:	-8.26(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-1-(2,4-diethylcyclobutyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]pyridin-3-yl]methyl]imidazol-2-one

Drug info:

PubChemData

Smile

CN(C)C(=O)CN1CCCN(C1=O)C2CCN(CC2)CC[C@H](CN(C)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations