Geometry & MOs

Info

ID:	128474
PubChem CID:	51045781
Reduced:	BrNO5H16C19 (1)
Stoich.:	ABC5D16E19 (1)
Weight, g/mol:	307.193614
ΔH_f, kcal/mol:	-140.19
Dipole, Da:	3.61
IP(EA), eV:	-9.16(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-butylanilino)-1-(3,4-dimethylphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1)C(=O)OC)N/C=C/C(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations