Geometry & MOs

Info

ID:	235973
PubChem CID:	92711252
Reduced:	N2O5C22H32 (1)
Stoich.:	A2B5C22D32 (1)
Weight, g/mol:	466.106227
ΔH_f, kcal/mol:	-218.81
Dipole, Da:	2.21
IP(EA), eV:	-8.34(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C2[C@H](N(CCC2=C1)C(=O)NC3CCCC3)CC(=O)OC)OCC

DOS

IR

Vibrations