Geometry & MOs

Info

ID:	355878
PubChem CID:	127290730
Reduced:	O3N5C20H35 (1)
Stoich.:	A3B5C20D35 (1)
Weight, g/mol:	315.194677
ΔH_f, kcal/mol:	-129.15
Dipole, Da:	4.51
IP(EA), eV:	-8.93(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(azepan-1-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide

Drug info:

PubChemData

Smile

CC(=C)CN1CCC(CC1)NC(=O)N2CCN(CC2)C(=O)CN3CCOCC3

DOS

IR

Vibrations