Geometry & MOs

Info

ID:	162666
PubChem CID:	57551353
Reduced:	FO2N3H24C27 (1)
Stoich.:	AB2C3D24E27 (1)
Weight, g/mol:	412.195092
ΔH_f, kcal/mol:	-56.19
Dipole, Da:	0.76
IP(EA), eV:	-8.3(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C(=C(NC2=C(C=C1)F)C)CCNC(=O)C3=CC4=C(N3)C=CC(=C4)C5=CC(=CC=C5)O

DOS

IR

Vibrations