Geometry & MOs

Info

ID:	236082
PubChem CID:	92711467
Reduced:	N2O7C23H28 (1)
Stoich.:	A2B7C23D28 (1)
Weight, g/mol:	384.168522
ΔH_f, kcal/mol:	-240.77
Dipole, Da:	8.53
IP(EA), eV:	-8.54(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)NC(=O)CN2CCC3=CC(=C(C=C3[C@@H]2CC(=O)O)OC)OC

DOS

IR

Vibrations