Geometry & MOs

Info

ID:	248276
PubChem CID:	103080171
Reduced:	ON2C5H8 (2)
Stoich.:	AB2C5D8 (2)
Weight, g/mol:	276.12224
ΔH_f, kcal/mol:	9.78
Dipole, Da:	6.46
IP(EA), eV:	-8.88(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(C1)NC2=NN(C=C2[N+](=O)[O-])C

DOS

IR

Vibrations