Geometry & MOs

Info

ID:	148228
PubChem CID:	53787890
Reduced:	FSO3N7H26C29 (1)
Stoich.:	ABC3D7E26F29 (1)
Weight, g/mol:	277.146664
ΔH_f, kcal/mol:	-12.61
Dipole, Da:	8.28
IP(EA), eV:	-8.99(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(dimethylamino)phenyl]-5-phenylpenta-1,4-dien-3-one

Drug info:

PubChemData

Smile

CC1(COC(OC1)C2=NC(=C(N2)C3=NC(=NC=C3)NCC4=CC=CS4)C5=CC=C(C=C5)F)C(=O)NC6=CN=CC=C6

DOS

IR

Vibrations