Geometry & MOs

Info

ID:	68229
PubChem CID:	46508006
Reduced:	N4O5H18C19 (1)
Stoich.:	A4B5C18D19 (1)
Weight, g/mol:	416.196074
ΔH_f, kcal/mol:	-154.64
Dipole, Da:	5.26
IP(EA), eV:	-9.22(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)CC2=CC=CC3=C2N=CC=C3)N

DOS

IR

Vibrations