Geometry & MOs

Info

ID:	12955
PubChem CID:	219092
Reduced:	FON2H21C25 (1)
Stoich.:	ABC2D21E25 (1)
Weight, g/mol:	384.163791
ΔH_f, kcal/mol:	8.89
Dipole, Da:	3.0
IP(EA), eV:	-9.19(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[6-fluoro-2-methyl-3-(pyridin-4-ylmethylidene)inden-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C1=CC3=CC=NC=C3)C=CC(=C2)F)CC(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations