Geometry & MOs

Info

ID:	348783
PubChem CID:	127273894
Reduced:	BrN2O3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	329.221561
ΔH_f, kcal/mol:	-127.04
Dipole, Da:	1.93
IP(EA), eV:	-8.44(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)N2CCC(CC2)OC3CCCC3)Br

DOS

IR

Vibrations