Geometry & MOs

Info

ID:	175400
PubChem CID:	75898053
Reduced:	NF2O3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	454.246772
ΔH_f, kcal/mol:	-174.57
Dipole, Da:	1.39
IP(EA), eV:	-9.0(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]ethanone

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=C1)F)F)N(C)CC(COCC2=CC=CO2)O

DOS

IR

Vibrations