Geometry & MOs

Info

ID:	129392
PubChem CID:	51072472
Reduced:	ClNOSC9H10 (1)
Stoich.:	ABCDE9F10 (1)
Weight, g/mol:	333.168856
ΔH_f, kcal/mol:	-33.41
Dipole, Da:	3.44
IP(EA), eV:	-8.91(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylpiperidin-1-yl)-(2-morpholin-4-yl-5-nitrophenyl)methanone

Drug info:

PubChemData

Smile

CSCC(=O)NC1=CC=C(C=C1)Cl

DOS

IR

Vibrations