Geometry & MOs

Info

ID:	178192
PubChem CID:	76292799
Reduced:	BrO4N5C19H24 (1)
Stoich.:	AB4C5D19E24 (1)
Weight, g/mol:	399.04701
ΔH_f, kcal/mol:	-152.42
Dipole, Da:	5.18
IP(EA), eV:	-9.24(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCN1C2C(CC(CN2)C(=O)NCC(=O)NC3=CC=C(C=C3)Br)C(=O)NC1=O

DOS

IR

Vibrations