Geometry & MOs

Info

ID:	343611
PubChem CID:	127266787
Reduced:	NO2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	-139.81
Dipole, Da:	3.45
IP(EA), eV:	-9.28(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[butyl(methyl)amino]benzoyl]-4-methyl-1,4-diazepan-5-one

Drug info:

PubChemData

Smile

CN1CCN(CCC1=O)C(=O)C2=CC(=CC=C2)OCCOC

DOS

IR

Vibrations