Geometry & MOs

Info

ID:	256770
PubChem CID:	103141282
Reduced:	ON2C16H32 (1)
Stoich.:	AB2C16D32 (1)
Weight, g/mol:	285.147727
ΔH_f, kcal/mol:	-93.09
Dipole, Da:	1.02
IP(EA), eV:	-8.42(2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylcyclohexyl)-5-nitroisoquinolin-8-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2CC(NCC2CC(C)C)(C)C

DOS

IR

Vibrations