Geometry & MOs

Info

ID:	198852
PubChem CID:	79162061
Reduced:	OSN4C12H24 (1)
Stoich.:	ABC4D12E24 (1)
Weight, g/mol:	183.11201
ΔH_f, kcal/mol:	-59.97
Dipole, Da:	4.95
IP(EA), eV:	-8.5(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-diethyl-3-(1H-1,2,4-triazol-5-yl)urea

Drug info:

PubChemData

Smile

CCN(CC)C(=O)NC1(CCN(CC1)C)C(=S)N

DOS

IR

Vibrations