Geometry & MOs

Info

ID:	235972
PubChem CID:	92711251
Reduced:	N2O5C22H32 (1)
Stoich.:	A2B5C22D32 (1)
Weight, g/mol:	404.231122
ΔH_f, kcal/mol:	-221.87
Dipole, Da:	1.68
IP(EA), eV:	-8.3(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1R)-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)NC3CCCC3)CC(=O)OC)OCC

DOS

IR

Vibrations