Geometry & MOs

Info

ID:	195937
PubChem CID:	78751309
Reduced:	NO7C22H23 (1)
Stoich.:	AB7C22D23 (1)
Weight, g/mol:	394.116486
ΔH_f, kcal/mol:	-216.4
Dipole, Da:	6.95
IP(EA), eV:	-8.36(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-cyanoanilino)-2-oxoethyl] 3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)COC(=O)C=CC2=CC3=C(C(=C2)OC)OCCO3

DOS

IR

Vibrations