Geometry & MOs

Info

ID:	425572
PubChem CID:	135126756
Reduced:	FN3O4C24H28 (1)
Stoich.:	AB3C4D24E28 (1)
Weight, g/mol:	453.226371
ΔH_f, kcal/mol:	-164.85
Dipole, Da:	5.66
IP(EA), eV:	-8.48(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[[4-methoxy-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]anilino]methylidene]propanedioate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC=C(C(=O)OC)C(=O)OC)CN2CCN(CC2)C3=CC=C(C=C3)F

DOS

IR

Vibrations