Geometry & MOs

Info

ID:	424828
PubChem CID:	135124109
Reduced:	ON3C16H20 (2)
Stoich.:	AB3C16D20 (2)
Weight, g/mol:	184.109944
ΔH_f, kcal/mol:	4.28
Dipole, Da:	7.09
IP(EA), eV:	-8.83(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxiran-2-yl)ethyl 2-methylidenepentanoate

Drug info:

PubChemData

Smile

CC[C@@H]1CN(CC2=C(O1)C=CC=N2)CC3=C(C=CC(=C3)[C@@H](C4=C(C5=C(C=C4)N(N=N5)CC)C)C(C)(C)C(=O)N)C

DOS

IR

Vibrations