Geometry & MOs

Info

ID:	245510
PubChem CID:	99453641
Reduced:	Cl2N3O3C24H27 (1)
Stoich.:	A2B3C3D24E27 (1)
Weight, g/mol:	390.180424
ΔH_f, kcal/mol:	-122.25
Dipole, Da:	7.45
IP(EA), eV:	-8.89(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)[C@H]2CCCN(C2)C(=O)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations