Geometry & MOs

Info

ID:	362159
PubChem CID:	127305848
Reduced:	SN3O3C18H29 (1)
Stoich.:	AB3C3D18E29 (1)
Weight, g/mol:	337.179027
ΔH_f, kcal/mol:	-148.23
Dipole, Da:	8.79
IP(EA), eV:	-8.87(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(isoquinoline-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CCCC(=O)N1CSCC1C(=O)N2CCCC(C2)C(=O)N3CCCC3

DOS

IR

Vibrations