Geometry & MOs

Info

ID:	277354
PubChem CID:	103828041
Reduced:	FNOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	342.03678
ΔH_f, kcal/mol:	-66.14
Dipole, Da:	2.04
IP(EA), eV:	-9.28(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromo-5-methoxyphenyl)methyl]isoquinolin-8-amine

Drug info:

PubChemData

Smile

C[C@@H](CO)NC/C=C/C1=CC=C(C=C1)F

DOS

IR

Vibrations