Geometry & MOs

Info

ID:	365907
PubChem CID:	127319172
Reduced:	ON5C21H35 (1)
Stoich.:	AB5C21D35 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	-45.87
Dipole, Da:	5.6
IP(EA), eV:	-8.44(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-phenylcyclohexyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea

Drug info:

PubChemData

Smile

CC1CCCCN1CC2CCCN(C2)C(=O)NC3CCCC4=C3C=NN4C

DOS

IR

Vibrations