Geometry & MOs

Info

ID:	269533
PubChem CID:	103617884
Reduced:	FN2O3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	197.12766
ΔH_f, kcal/mol:	-176.17
Dipole, Da:	5.04
IP(EA), eV:	-9.53(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC)NC(=O)C1=C(C=C(C=C1)OC)F

DOS

IR

Vibrations