Geometry & MOs

Info

ID:	411336
PubChem CID:	135084159
Reduced:	NO2C10H17 (1)
Stoich.:	AB2C10D17 (1)
Weight, g/mol:	240.172545
ΔH_f, kcal/mol:	-55.59
Dipole, Da:	4.13
IP(EA), eV:	-10.18(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (E)-5-methyl-5-(2-methyloxiran-2-yl)hex-2-enoate

Drug info:

PubChemData

Smile

CC(=O)O/N=C(\CC=C)/C(C)(C)C

DOS

IR

Vibrations