Geometry & MOs

Info

ID:	367289
PubChem CID:	127324066
Reduced:	O2N3C20H29 (1)
Stoich.:	A2B3C20D29 (1)
Weight, g/mol:	305.221561
ΔH_f, kcal/mol:	-57.19
Dipole, Da:	4.12
IP(EA), eV:	-8.96(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1N2CCC(C2)NC(=O)NCC3(CCOCC3)C4=CC=CC=C4

DOS

IR

Vibrations