Geometry & MOs

Info

ID:	140171
PubChem CID:	52658096
Reduced:	SN2O3C22H28 (1)
Stoich.:	AB2C3D22E28 (1)
Weight, g/mol:	400.182064
ΔH_f, kcal/mol:	-89.11
Dipole, Da:	3.68
IP(EA), eV:	-8.33(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C2CN(CCC2=C1)C(=O)N[C@H](C3CCCC3)C4=CC=CS4)OC

DOS

IR

Vibrations