Geometry & MOs

Info

ID:	39761
PubChem CID:	8142187
Reduced:	NOC19H29 (1)
Stoich.:	ABC19D29 (1)
Weight, g/mol:	412.272593
ΔH_f, kcal/mol:	-69.76
Dipole, Da:	3.58
IP(EA), eV:	-8.75(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1CCNC(=O)C2CCC2)C)C(C)(C)C

DOS

IR

Vibrations