Geometry & MOs

Info

ID:	268312
PubChem CID:	103598892
Reduced:	O2N4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	297.147727
ΔH_f, kcal/mol:	-9.56
Dipole, Da:	10.42
IP(EA), eV:	-8.75(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(2-methylcyclopropyl)furan-2-yl]-1-(1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=C(C=C2)C=CC(=O)N3CCC4=C(C3)C=NN4

DOS

IR

Vibrations