Geometry & MOs

Info

ID:	370172
PubChem CID:	127337627
Reduced:	ON8C18H26 (1)
Stoich.:	AB8C18D26 (1)
Weight, g/mol:	362.243024
ΔH_f, kcal/mol:	24.89
Dipole, Da:	2.04
IP(EA), eV:	-8.62(-0.18)
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-(oxolan-3-ylmethyl)piperidin-4-yl]urea

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)NC3CCC4=NC(=NN4C3)C

DOS

IR

Vibrations