Geometry & MOs

Info

ID:	284322
PubChem CID:	104042950
Reduced:	ON2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	392.03856
ΔH_f, kcal/mol:	-46.1
Dipole, Da:	3.35
IP(EA), eV:	-9.29(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(2-iodophenyl)methanone

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CCC2=CC=CC=C2C1CN

DOS

IR

Vibrations