Geometry & MOs

Info

ID:	268166
PubChem CID:	103598173
Reduced:	N2O4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	346.189257
ΔH_f, kcal/mol:	-131.3
Dipole, Da:	6.25
IP(EA), eV:	-8.85(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dimethoxyphenyl)-1-(4-propanoyl-1,4-diazepan-1-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CCCN(CC1)C(=O)C=CC2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations