Geometry & MOs

Info

ID:	268152
PubChem CID:	103598101
Reduced:	O2N3C17H17 (1)
Stoich.:	A2B3C17D17 (1)
Weight, g/mol:	396.114378
ΔH_f, kcal/mol:	-11.57
Dipole, Da:	2.43
IP(EA), eV:	-8.92(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]phenoxy]acetonitrile

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=CC=C1NC(=O)C=CC2=CC=CC=N2

DOS

IR

Vibrations