Geometry & MOs

Info

ID:	252877
PubChem CID:	103114737
Reduced:	O3N4C14H16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	276.183778
ΔH_f, kcal/mol:	-50.0
Dipole, Da:	2.8
IP(EA), eV:	-9.48(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylcyclohexyl)-N-[(2-methyl-3-nitrophenyl)methyl]methanamine

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC(=O)NC)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations