Geometry & MOs

Info

ID:	76338
PubChem CID:	48424797
Reduced:	NO3C19H29 (1)
Stoich.:	AB3C19D29 (1)
Weight, g/mol:	404.154764
ΔH_f, kcal/mol:	-105.26
Dipole, Da:	3.59
IP(EA), eV:	-9.24(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[7-(difluoromethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)N(CCCCOC)CC1=CC=CC=C1)OCC2CC2

DOS

IR

Vibrations