Geometry & MOs

Info

ID:	343941
PubChem CID:	127267117
Reduced:	O3N5C11H17 (1)
Stoich.:	A3B5C11D17 (1)
Weight, g/mol:	277.133888
ΔH_f, kcal/mol:	-94.14
Dipole, Da:	2.47
IP(EA), eV:	-9.2(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-fluorophenyl)ethyl]-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea

Drug info:

PubChemData

Smile

CNC(=O)C(=O)NCCCNC1=CC(=NC=N1)OC

DOS

IR

Vibrations