Geometry & MOs

Info

ID:	158040
PubChem CID:	56459430
Reduced:	O2N5H21C25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	393.18009
ΔH_f, kcal/mol:	42.07
Dipole, Da:	6.58
IP(EA), eV:	-8.58(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-2-carbonyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1)C(C2=CC=CC=C2)NC(=O)CN3C4=CC=CC=C4C(=O)C5=CC=CC=C53

DOS

IR

Vibrations