Geometry & MOs

Info

ID:	343383
PubChem CID:	127266556
Reduced:	BrON3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	282.136828
ΔH_f, kcal/mol:	-2.19
Dipole, Da:	2.31
IP(EA), eV:	-9.28(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)NC(=O)C2=C(N=C3N2CCC3)Br

DOS

IR

Vibrations