Geometry & MOs

Info

ID:	370604
PubChem CID:	127339746
Reduced:	ClON5C20H22 (1)
Stoich.:	ABC5D20E22 (1)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	44.04
Dipole, Da:	1.11
IP(EA), eV:	-9.2(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6,6-trimethyl-2-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]-5,7-dihydro-1H-indol-4-one

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)N3CCC(CC3)C4=CN(N=C4)C

DOS

IR

Vibrations