Geometry & MOs

Info

ID:	26603
PubChem CID:	793403
Reduced:	BrN3H14C15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	311.209658
ΔH_f, kcal/mol:	76.61
Dipole, Da:	3.53
IP(EA), eV:	-8.74(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dicyclohexyl (2S)-2-aminopentanedioate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN3C(=CC(=NC3=C2Br)C)C

DOS

IR

Vibrations