Geometry & MOs

Info

ID:	182237
PubChem CID:	76862550
Reduced:	BrN2O2C13H13 (1)
Stoich.:	AB2C2D13E13 (1)
Weight, g/mol:	363.147058
ΔH_f, kcal/mol:	-30.89
Dipole, Da:	3.3
IP(EA), eV:	-9.37(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(3-methoxybenzoyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC(C)NC(=O)C(=CC1=CC(=C(C=C1)O)Br)C#N

DOS

IR

Vibrations