Geometry & MOs

Info

ID:	256876
PubChem CID:	103142049
Reduced:	NC9H10 (2)
Stoich.:	AB9C10 (2)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	38.34
Dipole, Da:	2.5
IP(EA), eV:	-8.32(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-N-(piperidin-4-ylmethyl)isoquinolin-8-amine

Drug info:

PubChemData

Smile

CC1CC2=CC=CC=C2N1C3=CC=CC4=C3CNCC4

DOS

IR

Vibrations