Geometry & MOs

Info

ID:	208495
PubChem CID:	80536544
Reduced:	NOSBr2C15H19 (1)
Stoich.:	ABCD2E15F19 (1)
Weight, g/mol:	296.173607
ΔH_f, kcal/mol:	-3.88
Dipole, Da:	3.61
IP(EA), eV:	-9.46(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-2-methylbutanoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)CN(C2CC2)C(=O)C3=CC(=C(S3)Br)Br

DOS

IR

Vibrations