Geometry & MOs

Info

ID:	272006
PubChem CID:	103715997
Reduced:	NO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	288.133474
ΔH_f, kcal/mol:	-142.13
Dipole, Da:	3.65
IP(EA), eV:	-8.76(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(carbamoylamino)methyl]-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

C1CC(COC1)(CN)C(C2=CC3=C(C=C2)OCO3)O

DOS

IR

Vibrations