Geometry & MOs

Info

ID:	337448
PubChem CID:	127257133
Reduced:	BrNO3C21H22 (1)
Stoich.:	ABC3D21E22 (1)
Weight, g/mol:	408.277678
ΔH_f, kcal/mol:	-79.54
Dipole, Da:	5.78
IP(EA), eV:	-8.03(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-butoxy-2,6-dimethylphenyl)-N-[3-(dimethylamino)propyl]-N-phenylprop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CCC12OCCO2)CC3=C(C=CC(=C3)C(=O)C4=CC=CC=C4)Br

DOS

IR

Vibrations