Geometry & MOs

Info

ID:	320442
PubChem CID:	126661010
Reduced:	FON2H19C22 (1)
Stoich.:	ABC2D19E22 (1)
Weight, g/mol:	364.170627
ΔH_f, kcal/mol:	4.16
Dipole, Da:	4.57
IP(EA), eV:	-8.45(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-N-butyl-4-[3-(2-chloropyridin-4-yl)-5-ethynyl-2-methylphenyl]-3-methylbuta-1,3-dien-2-amine

Drug info:

PubChemData

Smile

CCC#CC1=CC2=C(C(=C1)C3=CC(=CC=C3)F)N4CCCNC(=O)C4=C2

DOS

IR

Vibrations