Geometry & MOs

Info

ID:	58924
PubChem CID:	24717538
Reduced:	O3N4C34H40 (1)
Stoich.:	A3B4C34D40 (1)
Weight, g/mol:	430.202321
ΔH_f, kcal/mol:	-78.46
Dipole, Da:	4.29
IP(EA), eV:	-8.73(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[1-(2-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-2-methylpropyl]benzamide

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)C(=O)N2CCC3(CC2)C(=O)N(CN3C4=CC=CC=C4)CC(=O)NC5=CC=C(C=C5)C

DOS

IR

Vibrations