Geometry & MOs

Info

ID:	162709
PubChem CID:	57551540
Reduced:	FO2N3C22H22 (1)
Stoich.:	AB2C3D22E22 (1)
Weight, g/mol:	420.164934
ΔH_f, kcal/mol:	-72.53
Dipole, Da:	3.28
IP(EA), eV:	-8.27(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations