Geometry & MOs

Info

ID:	29159
PubChem CID:	832059
Reduced:	O3N5C16H21 (1)
Stoich.:	A3B5C16D21 (1)
Weight, g/mol:	263.08254
ΔH_f, kcal/mol:	5.98
Dipole, Da:	6.14
IP(EA), eV:	-8.0(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)NC(=O)CN2C(=CC(=N2)[N+](=O)[O-])C

DOS

IR

Vibrations