Geometry & MOs

Info

ID:	185716
PubChem CID:	77337123
Reduced:	FO3N4C21H33 (1)
Stoich.:	AB3C4D21E33 (1)
Weight, g/mol:	616.267715
ΔH_f, kcal/mol:	-158.15
Dipole, Da:	5.93
IP(EA), eV:	-9.0(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-butyl-5-chloro-3-[[4-phenyl-3-(tetrazolidin-5-yl)phenyl]methyl]imidazole-4-carbonyl]-N,N-diethyl-1-oxidopyridin-1-ium-2-carboxamide

Drug info:

PubChemData

Smile

CN1C(CC(=O)N(C1=O)C)CCCN(CCN(C)C)CCOC2=CC=C(C=C2)F

DOS

IR

Vibrations