Geometry & MOs

Info

ID:	236076
PubChem CID:	92711457
Reduced:	N2O7C23H28 (1)
Stoich.:	A2B7C23D28 (1)
Weight, g/mol:	444.189651
ΔH_f, kcal/mol:	-240.07
Dipole, Da:	6.99
IP(EA), eV:	-8.04(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations