Geometry & MOs

Info

ID:	236086
PubChem CID:	92711488
Reduced:	ClN2O5C21H23 (1)
Stoich.:	AB2C5D21E23 (1)
Weight, g/mol:	432.1452
ΔH_f, kcal/mol:	-172.89
Dipole, Da:	4.86
IP(EA), eV:	-8.46(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-2-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations