Geometry & MOs

Info

ID:	128772
PubChem CID:	51057498
Reduced:	ON2C16H16 (1)
Stoich.:	AB2C16D16 (1)
Weight, g/mol:	414.97179
ΔH_f, kcal/mol:	12.18
Dipole, Da:	2.33
IP(EA), eV:	-8.02(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(pyridin-3-ylmethyl)isoquinolin-1-amine;hydrate;dihydrobromide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=NC=CC3=CC=CC=C32.O

DOS

IR

Vibrations