Geometry & MOs

Info

ID:	198029
PubChem CID:	79033744
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	226.095357
ΔH_f, kcal/mol:	-50.76
Dipole, Da:	6.77
IP(EA), eV:	-9.04(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-6-nitroanilino)propane-1,3-diol

Drug info:

PubChemData

Smile

CC1CC(CCN1C)NC2=C(C=CC(=C2)OC)[N+](=O)[O-]

DOS

IR

Vibrations