Geometry & MOs

Info

ID:	369040
PubChem CID:	127331162
Reduced:	O3N5C16H23 (1)
Stoich.:	A3B5C16D23 (1)
Weight, g/mol:	344.170922
ΔH_f, kcal/mol:	-97.63
Dipole, Da:	3.09
IP(EA), eV:	-8.56(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)N2CCC(C2=O)NC(=O)N3C4CCC3CC(C4)O

DOS

IR

Vibrations