Geometry & MOs

Info

ID:	255683
PubChem CID:	103133972
Reduced:	NOC17H21 (1)
Stoich.:	ABC17D21 (1)
Weight, g/mol:	325.01023
ΔH_f, kcal/mol:	-19.29
Dipole, Da:	5.23
IP(EA), eV:	-9.41(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-methylphenyl)-isoquinolin-8-ylmethanone

Drug info:

PubChemData

Smile

CC(CC(=O)C1=CC=CC2=C1C=NC=C2)C(C)(C)C

DOS

IR

Vibrations