Geometry & MOs

Info

ID:	423454
PubChem CID:	135119526
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	366.230728
ΔH_f, kcal/mol:	-92.62
Dipole, Da:	8.13
IP(EA), eV:	-9.85(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aR,7aS)-5-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-[1-(2-methylbenzoyl)piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CC(C)CC1=CC(=NC(=O)N1)C(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations