Geometry & MOs

Info

ID:	235982
PubChem CID:	92711302
Reduced:	N2O3C20H22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	338.163043
ΔH_f, kcal/mol:	-97.34
Dipole, Da:	9.21
IP(EA), eV:	-9.04(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)N2CCC3=CC=CC=C3[C@H]2CC(=O)O

DOS

IR

Vibrations