Geometry & MOs

Info

ID:	255624
PubChem CID:	103133497
Reduced:	N2O2H14C17 (1)
Stoich.:	A2B2C14D17 (1)
Weight, g/mol:	326.00548
ΔH_f, kcal/mol:	2.94
Dipole, Da:	5.2
IP(EA), eV:	-8.28(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-amino-2-bromophenyl)-isoquinolin-8-ylmethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations