Geometry & MOs

Info

ID:	140170
PubChem CID:	52657795
Reduced:	N2O3C22H26 (1)
Stoich.:	A2B3C22D26 (1)
Weight, g/mol:	400.182064
ΔH_f, kcal/mol:	-90.04
Dipole, Da:	1.9
IP(EA), eV:	-8.65(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)[C@@H]2CCCN2C(=O)NC[C@H]3CC4=CC=CC=C4O3

DOS

IR

Vibrations