Geometry & MOs

Info

ID:	162691
PubChem CID:	57551440
Reduced:	OF2N2H24C26 (1)
Stoich.:	AB2C2D24E26 (1)
Weight, g/mol:	428.190006
ΔH_f, kcal/mol:	-83.54
Dipole, Da:	3.52
IP(EA), eV:	-8.24(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-acetylphenyl)-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)NCCC3=C(NC4=C(C=CC(=C34)C)F)C)F

DOS

IR

Vibrations