Geometry & MOs

Info

ID:	348657
PubChem CID:	127273768
Reduced:	SO2N7C16H23 (1)
Stoich.:	AB2C7D16E23 (1)
Weight, g/mol:	379.175673
ΔH_f, kcal/mol:	-7.97
Dipole, Da:	1.87
IP(EA), eV:	-8.75(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)NC3=NC(=CS3)CN4CCOCC4

DOS

IR

Vibrations