Geometry & MOs

Info

ID:	214277
PubChem CID:	84974889
Reduced:	BrO2N4C15H17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	298.148141
ΔH_f, kcal/mol:	-39.22
Dipole, Da:	1.09
IP(EA), eV:	-9.18(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(dimethylamino)phenyl]methyl]-3-(2-fluorophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC2=CC(=O)N3C=C(C=CC3=N2)Br)C(=O)N

DOS

IR

Vibrations