Geometry & MOs

Info

ID:	61178
PubChem CID:	26706787
Reduced:	N3O4C23H23 (1)
Stoich.:	A3B4C23D23 (1)
Weight, g/mol:	433.175004
ΔH_f, kcal/mol:	-112.57
Dipole, Da:	5.06
IP(EA), eV:	-8.95(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoyl]amino]-N-prop-2-enylbenzamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)NC3=CC=CC=C3C(=O)NCC=C

DOS

IR

Vibrations