Geometry & MOs

Info

ID:	64896
PubChem CID:	29204163
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	354.124739
ΔH_f, kcal/mol:	-2.65
Dipole, Da:	10.68
IP(EA), eV:	-9.07(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC=CC=N3

DOS

IR

Vibrations