Geometry & MOs

Info

ID:	235981
PubChem CID:	92711300
Reduced:	Cl2N2O5C20H20 (1)
Stoich.:	A2B2C5D20E20 (1)
Weight, g/mol:	338.163043
ΔH_f, kcal/mol:	-181.4
Dipole, Da:	5.63
IP(EA), eV:	-8.5(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-2-[(2-ethylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid

Drug info:

PubChemData

Smile

COC1=C(C=C2[C@H](N(CCC2=C1)C(=O)NC3=C(C=CC(=C3)Cl)Cl)CC(=O)O)OC

DOS

IR

Vibrations