Geometry & MOs

Info

ID:	256874
PubChem CID:	103142040
Reduced:	N2O3C16H26 (1)
Stoich.:	A2B3C16D26 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	-140.09
Dipole, Da:	1.15
IP(EA), eV:	-9.44(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-N-(piperidin-3-ylmethyl)isoquinolin-8-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C(CC(=O)NC(C2=O)(C)C3CC3)C

DOS

IR

Vibrations