Geometry & MOs

Info

ID:	30332
PubChem CID:	841150
Reduced:	N5O5C14H15 (1)
Stoich.:	A5B5C14D15 (1)
Weight, g/mol:	333.107319
ΔH_f, kcal/mol:	-28.78
Dipole, Da:	6.4
IP(EA), eV:	-9.15(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NN=CC1=CC=C(C=C1)O)N2C=C(C(=N2)OC)[N+](=O)[O-]

DOS

IR

Vibrations