Geometry & MOs

Info

ID:	235980
PubChem CID:	92711298
Reduced:	N2O5C22H26 (1)
Stoich.:	A2B5C22D26 (1)
Weight, g/mol:	438.074927
ΔH_f, kcal/mol:	-185.31
Dipole, Da:	4.91
IP(EA), eV:	-8.49(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations