Geometry & MOs

Info

ID:	74094
PubChem CID:	48421454
Reduced:	N3O5C21H31 (1)
Stoich.:	A3B5C21D31 (1)
Weight, g/mol:	360.198383
ΔH_f, kcal/mol:	-199.33
Dipole, Da:	2.93
IP(EA), eV:	-8.71(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(2,5-dimethylpyrrolidin-1-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CCN1CCCC1CN(CCC(=O)OCC)C(=O)NCC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations