Geometry & MOs

Info

ID:	155562
PubChem CID:	56365898
Reduced:	O3N6C25H30 (1)
Stoich.:	A3B6C25D30 (1)
Weight, g/mol:	491.228102
ΔH_f, kcal/mol:	-31.75
Dipole, Da:	4.02
IP(EA), eV:	-8.04(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-(3-nitrophenyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCC(C(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)CCC3=NC(=NO3)C4=CN=CC=C4

DOS

IR

Vibrations