Geometry & MOs

Info

ID:	352473
PubChem CID:	127283561
Reduced:	O3N7C17H19 (1)
Stoich.:	A3B7C17D19 (1)
Weight, g/mol:	369.18009
ΔH_f, kcal/mol:	-41.93
Dipole, Da:	4.04
IP(EA), eV:	-9.96(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=N2)C(=O)N3CCCC(C3)N4C=NC=N4)C(=O)N(C1=O)C

DOS

IR

Vibrations