Geometry & MOs

Info

ID:	176430
PubChem CID:	76048377
Reduced:	ClNH14C15 (2)
Stoich.:	ABC14D15 (2)
Weight, g/mol:	345.205242
ΔH_f, kcal/mol:	70.68
Dipole, Da:	4.84
IP(EA), eV:	-8.27(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetyl-N-(1-morpholin-4-ylpropan-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CNC1=CC(=C(C=C1)C2C(C(N(C3=C2C=CC(=C3)Cl)C)CC4=CC=CC=C4)C5=CC=CC=C5)Cl

DOS

IR

Vibrations