Geometry & MOs

Info

ID:	190222
PubChem CID:	77971035
Reduced:	NO5C25H29 (1)
Stoich.:	AB5C25D29 (1)
Weight, g/mol:	399.194677
ΔH_f, kcal/mol:	-157.12
Dipole, Da:	2.74
IP(EA), eV:	-8.1(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-3-(6-methyl-1-oxo-10bH-benzo[h]isoquinolin-9-yl)benzamide

Drug info:

PubChemData

Smile

CC1C(CC2C13CCN(CC4=C3C(=C(C=C4)OC)O2)C)OC(=O)C5=CC=C(C=C5)OC

DOS

IR

Vibrations