Geometry & MOs

Info

ID:	28857
PubChem CID:	830079
Reduced:	O2N4C13H14 (1)
Stoich.:	A2B4C13D14 (1)
Weight, g/mol:	297.136493
ΔH_f, kcal/mol:	-14.13
Dipole, Da:	4.99
IP(EA), eV:	-8.78(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethoxyphenyl)-3-(4-methylanilino)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=NC2=C(N1)C=C(C=C2)NN=C(C(=O)C)C(=O)C

DOS

IR

Vibrations