Geometry & MOs

Info

ID:	29937
PubChem CID:	838335
Reduced:	OSN2C15H16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	271.967481
ΔH_f, kcal/mol:	5.54
Dipole, Da:	3.38
IP(EA), eV:	-8.95(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-(trichloromethyl)-1,4-dihydroquinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C([C@@H](NC(=S)N1)C=CC2=CC=CC=C2)C(=O)C

DOS

IR

Vibrations