Geometry & MOs

Info

ID:	388491
PubChem CID:	134989311
Reduced:	N3C15H19 (1)
Stoich.:	A3B15C19 (1)
Weight, g/mol:	269.162708
ΔH_f, kcal/mol:	59.34
Dipole, Da:	6.08
IP(EA), eV:	-8.39(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4S)-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hept-2-ynoate

Drug info:

PubChemData

Smile

CCN(CC)C1=NC=C(C=CC1)C2=CC=NC=C2

DOS

IR

Vibrations