Geometry & MOs

Info

ID:	252852
PubChem CID:	103114585
Reduced:	N2O4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	277.179027
ΔH_f, kcal/mol:	-91.36
Dipole, Da:	8.04
IP(EA), eV:	-9.45(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-N-[(2-methyl-3-nitrophenyl)methyl]cyclohexan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(C)CCC(=O)O

DOS

IR

Vibrations