Geometry & MOs

Info

ID:	442666
PubChem CID:	135254588
Reduced:	ON5C25H31 (1)
Stoich.:	AB5C25D31 (1)
Weight, g/mol:	437.135798
ΔH_f, kcal/mol:	62.12
Dipole, Da:	4.61
IP(EA), eV:	-8.78(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-4-[[benzyl(methyl)amino]methyl]-1-(4-chlorophenyl)-2-(2,4-difluorophenyl)penta-1,4-dien-3-one

Drug info:

PubChemData

Smile

C[C@H](CNC1=NC=NC(=C1)/C(=C/N=C(C)C)/C=C)C(C)C2=C3C(=NC=C2)[C@H](CO3)C=C

DOS

IR

Vibrations