Geometry & MOs

Info

ID:	235968
PubChem CID:	92711242
Reduced:	ClN2O5C24H29 (1)
Stoich.:	AB2C5D24E29 (1)
Weight, g/mol:	480.187206
ΔH_f, kcal/mol:	-194.91
Dipole, Da:	6.45
IP(EA), eV:	-8.48(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1S)-6,7-diethoxy-2-[[2-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate

Drug info:

PubChemData

Smile

CCOC1=C(C=C2[C@H](N(CCC2=C1)C(=O)NC3=C(C(=CC=C3)Cl)C)CC(=O)OC)OCC

DOS

IR

Vibrations