Geometry & MOs

Info

ID:	256881
PubChem CID:	103142099
Reduced:	NO2C11H21 (1)
Stoich.:	AB2C11D21 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	-119.55
Dipole, Da:	4.92
IP(EA), eV:	-9.23(2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-5-nitro-N-piperidin-3-ylisoquinolin-8-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)CC2(CCOCC2)N

DOS

IR

Vibrations