Geometry & MOs

Info

ID:	30351
PubChem CID:	841181
Reduced:	ClNOC18H20 (1)
Stoich.:	ABCD18E20 (1)
Weight, g/mol:	274.10659
ΔH_f, kcal/mol:	-38.1
Dipole, Da:	4.44
IP(EA), eV:	-9.22(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dimethyl-N-(3-methylphenyl)-4-nitropyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[C@H](C)NC(=O)CC2=CC=C(C=C2)Cl)C

DOS

IR

Vibrations