Geometry & MOs

Info

ID:	8814
PubChem CID:	81857
Reduced:	NO2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	356.173607
ΔH_f, kcal/mol:	-157.61
Dipole, Da:	6.18
IP(EA), eV:	-9.79(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-oxoazepane-1-carbonyl)benzoyl]azepan-2-one

Drug info:

PubChemData

Smile

C1CCC(=O)N(CC1)C(=O)C2=CC(=CC=C2)C(=O)N3CCCCCC3=O

DOS

IR

Vibrations