Geometry & MOs

Info

ID:	74221
PubChem CID:	48421601
Reduced:	ON8C18H22 (1)
Stoich.:	AB8C18D22 (1)
Weight, g/mol:	352.176007
ΔH_f, kcal/mol:	80.03
Dipole, Da:	11.77
IP(EA), eV:	-8.34(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(diethylamino)pyridin-3-yl]-3-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]urea

Drug info:

PubChemData

Smile

CCN(CC)C1=NC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)N3C=NN=N3)C

DOS

IR

Vibrations