Geometry & MOs

Info

ID:	256797
PubChem CID:	103141462
Reduced:	ON2C18H34 (1)
Stoich.:	AB2C18D34 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	-89.89
Dipole, Da:	1.26
IP(EA), eV:	-8.31(2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methylpiperidin-3-yl)-5-nitroisoquinolin-8-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2CC3(CCCC3)NCC2C(C)(C)C

DOS

IR

Vibrations