Geometry & MOs

Info

ID:	194416
PubChem CID:	78532395
Reduced:	ClN2O5H17C19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	381.157623
ΔH_f, kcal/mol:	-135.38
Dipole, Da:	7.92
IP(EA), eV:	-9.06(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,5-dimethylanilino)-2-oxoethyl] 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)C=CC(=O)OCC(=O)NC3=C(N=CC=C3)Cl)OC1

DOS

IR

Vibrations