Geometry & MOs

Info

ID:	343690
PubChem CID:	127266866
Reduced:	ClON5C13H16 (1)
Stoich.:	ABC5D13E16 (1)
Weight, g/mol:	321.135638
ΔH_f, kcal/mol:	2.95
Dipole, Da:	5.9
IP(EA), eV:	-9.14(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-1,1-diethylurea

Drug info:

PubChemData

Smile

CCNC(=O)NCCC1=NC(=NN1)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations