Geometry & MOs

Info

ID:	69590
PubChem CID:	47204990
Reduced:	NO3C14H15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	268.096026
ΔH_f, kcal/mol:	-83.94
Dipole, Da:	4.43
IP(EA), eV:	-9.18(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-3-ylmethyl)-2-phenyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CCC(=O)NCC2=COC=C2)O

DOS

IR

Vibrations