Geometry & MOs

Info

ID:	356991
PubChem CID:	127293057
Reduced:	OSN5C20H27 (1)
Stoich.:	ABC5D20E27 (1)
Weight, g/mol:	397.272927
ΔH_f, kcal/mol:	0.03
Dipole, Da:	1.68
IP(EA), eV:	-8.69(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopentylpyrrolidin-3-yl)-2-(2-methylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCC(C2)NC(=O)C3CCCN3C4=C5C=CSC5=NC=N4

DOS

IR

Vibrations