Geometry & MOs

Info

ID:	370679
PubChem CID:	127339853
Reduced:	SO2N5C20H25 (1)
Stoich.:	AB2C5D20E25 (1)
Weight, g/mol:	365.185175
ΔH_f, kcal/mol:	-30.92
Dipole, Da:	3.66
IP(EA), eV:	-8.81(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]cinnolin-4-one

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)CCC(=O)N3CCC(CC3)C4=CC=NN4C)C

DOS

IR

Vibrations