Geometry & MOs

Info

ID:	148425
PubChem CID:	53788087
Reduced:	O2N4C29H38 (1)
Stoich.:	A2B4C29D38 (1)
Weight, g/mol:	273.172879
ΔH_f, kcal/mol:	26.69
Dipole, Da:	3.72
IP(EA), eV:	-8.66(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-butylbenzoyl)azepan-2-one

Drug info:

PubChemData

Smile

C1CCN(CC1)CCON=C2CC(=NOCCN3CCCCC3)C4=CC=CC=C4C5=CC=CC=C25

DOS

IR

Vibrations