Geometry & MOs

Info

ID:	370122
PubChem CID:	127337493
Reduced:	OSN5C20H29 (1)
Stoich.:	ABC5D20E29 (1)
Weight, g/mol:	395.268511
ΔH_f, kcal/mol:	-0.35
Dipole, Da:	7.79
IP(EA), eV:	-8.53(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethylimidazol-1-yl)-N-[1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)NCCN3CCC4=C(C3)C=CS4

DOS

IR

Vibrations