Geometry & MOs

Info

ID:	371274
PubChem CID:	127344638
Reduced:	O2N7C15H19 (1)
Stoich.:	A2B7C15D19 (1)
Weight, g/mol:	386.217872
ΔH_f, kcal/mol:	0.59
Dipole, Da:	6.35
IP(EA), eV:	-8.78(0.02)
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-propan-2-yl-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)N3CCN4C=CN=C4C3

DOS

IR

Vibrations