Geometry & MOs

Info

ID:	268188
PubChem CID:	103598274
Reduced:	N2O4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	388.123463
ΔH_f, kcal/mol:	-79.63
Dipole, Da:	4.11
IP(EA), eV:	-8.22(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-3-oxoprop-1-enyl]benzoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=CC(=O)NC2=CC(=CC=C2)N3CCOCC3)OCC=C

DOS

IR

Vibrations