Geometry & MOs

Info

ID:	74852
PubChem CID:	48422589
Reduced:	N2O3C16H28 (1)
Stoich.:	A2B3C16D28 (1)
Weight, g/mol:	395.209658
ΔH_f, kcal/mol:	-140.01
Dipole, Da:	1.25
IP(EA), eV:	-9.11(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CCN(CC1)C(=O)C(C)OCC2CC2

DOS

IR

Vibrations