Geometry & MOs

Info

ID:	336405
PubChem CID:	127255412
Reduced:	NO3C9H17 (1)
Stoich.:	AB3C9D17 (1)
Weight, g/mol:	185.141579
ΔH_f, kcal/mol:	-139.9
Dipole, Da:	3.03
IP(EA), eV:	-9.78(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (Z,2S)-2-aminohex-3-enoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@@H](C1COC1)N

DOS

IR

Vibrations