Geometry & MOs

Info

ID:	235978
PubChem CID:	92711292
Reduced:	FN2O5C22H25 (1)
Stoich.:	AB2C5D22E25 (1)
Weight, g/mol:	398.184172
ΔH_f, kcal/mol:	-224.71
Dipole, Da:	6.05
IP(EA), eV:	-8.43(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-2-[(2,3-dimethylphenyl)carbamoyl]-6,7-dimethoxy-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