Geometry & MOs

Info

ID:	235979
PubChem CID:	92711293
Reduced:	N2O5C22H26 (1)
Stoich.:	A2B5C22D26 (1)
Weight, g/mol:	398.184172
ΔH_f, kcal/mol:	-179.64
Dipole, Da:	6.35
IP(EA), eV:	-8.52(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-2-[(3,5-dimethylphenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)N2CCC3=CC(=C(C=C3[C@@H]2CC(=O)O)OC)OC)C

DOS

IR

Vibrations