Geometry & MOs

Info

ID:	145729
PubChem CID:	53582930
Reduced:	O3N4C17H20 (1)
Stoich.:	A3B4C17D20 (1)
Weight, g/mol:	308.067618
ΔH_f, kcal/mol:	-0.4
Dipole, Da:	9.09
IP(EA), eV:	-9.51(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-nitrophenyl)-3-(4-methylpyrazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)CN2C=C(C=N2)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations