Geometry & MOs

Info

ID:	30470
PubChem CID:	841382
Reduced:	N3O5C17H17 (1)
Stoich.:	A3B5C17D17 (1)
Weight, g/mol:	229.09636
ΔH_f, kcal/mol:	-95.15
Dipole, Da:	8.37
IP(EA), eV:	-9.2(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O[C@@H](C)C(=O)NC2=CC=C(C=C2)C(=O)N)[N+](=O)[O-]

DOS

IR

Vibrations