Geometry & MOs

Info

ID:	197796
PubChem CID:	78997240
Reduced:	NOSBr2C14H17 (1)
Stoich.:	ABCD2E14F17 (1)
Weight, g/mol:	224.152478
ΔH_f, kcal/mol:	-22.85
Dipole, Da:	4.27
IP(EA), eV:	-9.52(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyanomethyl)-N-cyclopentyl-4-methoxybutanamide

Drug info:

PubChemData

Smile

C1CCC2(C1)CCN(CC2)C(=O)C3=CC(=C(S3)Br)Br

DOS

IR

Vibrations