Geometry & MOs

Info

ID:	85211
PubChem CID:	49872440
Reduced:	O2N3C22H33 (1)
Stoich.:	A2B3C22D33 (1)
Weight, g/mol:	357.241627
ΔH_f, kcal/mol:	-98.63
Dipole, Da:	6.58
IP(EA), eV:	-8.96(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3,3-dimethylbutyl)piperidin-4-yl]-1-methyl-3-oxo-1H-isoindole-4-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCN1CCC(CC1)N2C(C3=C(C2=O)C(=CC=C3)C(=O)N)C

DOS

IR

Vibrations