Geometry & MOs

Info

ID:	256150
PubChem CID:	103137393
Reduced:	ON2H16C17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	248.131349
ΔH_f, kcal/mol:	36.24
Dipole, Da:	4.95
IP(EA), eV:	-8.84(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=CC=CC3=C2C=NC=C3)N

DOS

IR

Vibrations