Geometry & MOs

Info

ID:	30331
PubChem CID:	841149
Reduced:	ClO3N4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	333.107319
ΔH_f, kcal/mol:	-4.05
Dipole, Da:	2.44
IP(EA), eV:	-9.19(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(4-hydroxyphenyl)methylideneamino]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)Cl)C

DOS

IR

Vibrations