Geometry & MOs

Info

ID:	371193
PubChem CID:	127344158
Reduced:	OF3N5C18H28 (1)
Stoich.:	AB3C5D18E28 (1)
Weight, g/mol:	359.243359
ΔH_f, kcal/mol:	-191.96
Dipole, Da:	4.18
IP(EA), eV:	-9.28(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)NC3CCN(CC3)CC(F)(F)F

DOS

IR

Vibrations