Geometry & MOs

Info

ID:	365844
PubChem CID:	127318784
Reduced:	ClO2N3C18H18 (1)
Stoich.:	AB2C3D18E18 (1)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	-15.23
Dipole, Da:	1.46
IP(EA), eV:	-9.35(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)N3CCCCC3C4=CNN=C4

DOS

IR

Vibrations