Geometry & MOs

Info

ID:	248273
PubChem CID:	103080162
Reduced:	O3N4C11H12 (1)
Stoich.:	A3B4C11D12 (1)
Weight, g/mol:	248.09094
ΔH_f, kcal/mol:	12.56
Dipole, Da:	6.18
IP(EA), eV:	-8.89(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1-methyl-4-nitropyrazol-3-yl)amino]methyl]phenol

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NCC2=CC=C(C=C2)O)[N+](=O)[O-]

DOS

IR

Vibrations