Geometry & MOs

Info

ID:	235971
PubChem CID:	92711249
Reduced:	N2O5C24H30 (1)
Stoich.:	A2B5C24D30 (1)
Weight, g/mol:	404.231122
ΔH_f, kcal/mol:	-182.42
Dipole, Da:	1.8
IP(EA), eV:	-8.35(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1S)-2-(cyclopentylcarbamoyl)-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate

Drug info:

PubChemData

Smile

CCOC1=C(C=C2[C@@H](N(CCC2=C1)C(=O)NCC3=CC=CC=C3)CC(=O)OC)OCC

DOS

IR

Vibrations