Geometry & MOs

Info

ID:	252871
PubChem CID:	103114718
Reduced:	N2O4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	306.07712
ΔH_f, kcal/mol:	-88.28
Dipole, Da:	6.56
IP(EA), eV:	-9.56(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-[[(2-methyl-3-nitrophenyl)methylamino]methyl]phenol

Drug info:

PubChemData

Smile

CCC(C(=O)OC)NCC1=C(C(=CC=C1)[N+](=O)[O-])C

DOS

IR

Vibrations