Geometry & MOs

Info

ID:	368860
PubChem CID:	127330830
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	369.191323
ΔH_f, kcal/mol:	4.56
Dipole, Da:	7.08
IP(EA), eV:	-9.34(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-oxoimidazolidin-1-yl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2CC(C1)(CN2C(=O)NCC3=CC(=CC=C3)N4C=NC=N4)C)C

DOS

IR

Vibrations