Geometry & MOs

Info

ID:	235977
PubChem CID:	92711291
Reduced:	FN2O5C22H25 (1)
Stoich.:	AB2C5D22E25 (1)
Weight, g/mol:	416.17475
ΔH_f, kcal/mol:	-225.93
Dipole, Da:	9.78
IP(EA), eV:	-8.61(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-6,7-diethoxy-2-[(3-fluorophenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations