Geometry & MOs

Info

ID:	342703
PubChem CID:	127265863
Reduced:	O2N3C22H29 (1)
Stoich.:	A2B3C22D29 (1)
Weight, g/mol:	326.163043
ΔH_f, kcal/mol:	-48.66
Dipole, Da:	3.33
IP(EA), eV:	-8.54(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dioxan-2-yl)-1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCOCC1=CC=C(C=C1)NC(=O)NCC2CCN(C2)CC3=CC=CC=C3

DOS

IR

Vibrations