Geometry & MOs

Info

ID:	182006
PubChem CID:	76827719
Reduced:	O2N4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	362.210661
ΔH_f, kcal/mol:	34.29
Dipole, Da:	7.19
IP(EA), eV:	-8.49(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(6,6-dimethyl-3a,4,5,7-tetrahydro-2H-indazol-3-ylidene)indol-6-yl]piperidin-2-one

Drug info:

PubChemData

Smile

CC1(CCC2C(=NNC2=C3C=C4C=C(C=CC4=N3)C(=O)NCC5=COC=C5)C1)C

DOS

IR

Vibrations