Geometry & MOs

Info

ID:	75367
PubChem CID:	48423385
Reduced:	NSO2C15H23 (1)
Stoich.:	ABC2D15E23 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	-78.16
Dipole, Da:	2.92
IP(EA), eV:	-9.09(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)C(C)NC(=O)C(C)OCC2CC2

DOS

IR

Vibrations