Geometry & MOs

Info

ID:	358546
PubChem CID:	127296142
Reduced:	ON6C18H30 (1)
Stoich.:	AB6C18D30 (1)
Weight, g/mol:	307.200825
ΔH_f, kcal/mol:	-19.91
Dipole, Da:	3.96
IP(EA), eV:	-8.8(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)N3CCCCC(C3)N4CCCC4

DOS

IR

Vibrations