Geometry & MOs

Info

ID:	272225
PubChem CID:	103736030
Reduced:	ClINO2C12H13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	293.056719
ΔH_f, kcal/mol:	-49.59
Dipole, Da:	5.18
IP(EA), eV:	-9.65(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-2-nitrobenzoyl)piperidine-4-carbonitrile

Drug info:

PubChemData

Smile

C1CN(CCOC1)C(=O)C2=CC(=C(C=C2)I)Cl

DOS

IR

Vibrations