Geometry & MOs

Info

ID:	425728
PubChem CID:	135127641
Reduced:	NOC6H11 (2)
Stoich.:	ABC6D11 (2)
Weight, g/mol:	323.209658
ΔH_f, kcal/mol:	-117.1
Dipole, Da:	3.41
IP(EA), eV:	-9.12(1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-6-(2-methylcyclopropyl)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]hex-2-ynoate

Drug info:

PubChemData

Smile

CC(CCN1CCCC1O)N2CCCC2=O

DOS

IR

Vibrations