Geometry & MOs

Info

ID:	72698
PubChem CID:	48416451
Reduced:	O3N5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	340.164774
ΔH_f, kcal/mol:	-107.95
Dipole, Da:	6.54
IP(EA), eV:	-8.64(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-phenyltriazole-4-carbonyl)piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCCC(C3)N4CCNC4=O

DOS

IR

Vibrations