Geometry & MOs

Info

ID:	353604
PubChem CID:	127285181
Reduced:	N3O4C18H27 (1)
Stoich.:	A3B4C18D27 (1)
Weight, g/mol:	363.215806
ΔH_f, kcal/mol:	-202.49
Dipole, Da:	9.6
IP(EA), eV:	-9.16(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-acetylpiperidin-4-yl)methyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)CNC(=O)CN2C(=O)C3CCCCC3C2=O

DOS

IR

Vibrations