Geometry & MOs

Info

ID:	365922
PubChem CID:	127319187
Reduced:	ON6C20H34 (1)
Stoich.:	AB6C20D34 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	-40.78
Dipole, Da:	2.44
IP(EA), eV:	-8.59(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCN1CC2CCCN(C2)C(=O)NC3CCC4=NC(=NN4C3)C

DOS

IR

Vibrations