Geometry & MOs

Info

ID:	236081
PubChem CID:	92711462
Reduced:	N2O5C22H26 (1)
Stoich.:	A2B5C22D26 (1)
Weight, g/mol:	444.189651
ΔH_f, kcal/mol:	-173.65
Dipole, Da:	5.45
IP(EA), eV:	-8.6(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)CN2CCC3=CC(=C(C=C3[C@H]2CC(=O)O)OC)OC

DOS

IR

Vibrations