Geometry & MOs

Info

ID:	236084
PubChem CID:	92711478
Reduced:	N2O5C21H24 (1)
Stoich.:	A2B5C21D24 (1)
Weight, g/mol:	398.184172
ΔH_f, kcal/mol:	-163.06
Dipole, Da:	5.15
IP(EA), eV:	-8.43(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-6,7-dimethoxy-2-[2-(2-methylanilino)-2-oxoethyl]-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)CC(=O)O)OC

DOS

IR

Vibrations