Geometry & MOs

Info

ID:	178359
PubChem CID:	76315098
Reduced:	O3N4H16C18 (1)
Stoich.:	A3B4C16D18 (1)
Weight, g/mol:	429.175165
ΔH_f, kcal/mol:	43.15
Dipole, Da:	4.3
IP(EA), eV:	-9.17(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(3,4-difluorophenyl)-3-[2,4,6-trimethoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C[C@@H]1CC(=O)NN=C1C2=CC=C(C=C2)N=CC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations