Geometry & MOs

Info

ID:	370672
PubChem CID:	127339834
Reduced:	O2N5C17H23 (1)
Stoich.:	A2B5C17D23 (1)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	-33.54
Dipole, Da:	3.89
IP(EA), eV:	-9.12(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)C3=C(C(=NNC3=O)C)C

DOS

IR

Vibrations