Geometry & MOs

Info

ID:	268165
PubChem CID:	103598172
Reduced:	OSN2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	344.173607
ΔH_f, kcal/mol:	11.85
Dipole, Da:	4.41
IP(EA), eV:	-8.72(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-propanoyl-1,4-diazepan-1-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N(C)C(=O)C=CC2=CSC(=N2)C)C

DOS

IR

Vibrations