Geometry & MOs

Info

ID:	257127
PubChem CID:	103143937
Reduced:	NOH15C18 (1)
Stoich.:	ABC15D18 (1)
Weight, g/mol:	248.131349
ΔH_f, kcal/mol:	29.1
Dipole, Da:	4.97
IP(EA), eV:	-9.28(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-isoquinolin-8-yl-4-methylphenyl)methanamine

Drug info:

PubChemData

Smile

CCC(=O)C1=CC=CC(=C1)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations