Geometry & MOs

Info

ID:	369007
PubChem CID:	127331111
Reduced:	ON6C20H28 (1)
Stoich.:	AB6C20D28 (1)
Weight, g/mol:	358.186572
ΔH_f, kcal/mol:	9.1
Dipole, Da:	2.98
IP(EA), eV:	-8.15(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-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)N3CCCC3C4=CC(=CC=C4)N(C)C

DOS

IR

Vibrations