Geometry & MOs

Info

ID:	75376
PubChem CID:	48423396
Reduced:	SN3O3C21H27 (1)
Stoich.:	AB3C3D21E27 (1)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-92.33
Dipole, Da:	4.3
IP(EA), eV:	-8.56(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(CNC(=O)C(CC1=CC=CC=C1)NC(=O)OC)N2CCC3=C(C2)C=CS3

DOS

IR

Vibrations