Geometry & MOs

Info

ID:	14573
PubChem CID:	415152
Reduced:	ON2C26H26 (1)
Stoich.:	AB2C26D26 (1)
Weight, g/mol:	382.204513
ΔH_f, kcal/mol:	32.62
Dipole, Da:	4.52
IP(EA), eV:	-8.52(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylphenyl)-3-phenyl-3-piperidin-1-ylisoindol-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3C2(C4=CC=CC=C4)N5CCCCC5

DOS

IR

Vibrations