Geometry & MOs

Info

ID:	184009
PubChem CID:	77101549
Reduced:	NO2C13H23 (1)
Stoich.:	AB2C13D23 (1)
Weight, g/mol:	241.167794
ΔH_f, kcal/mol:	-104.46
Dipole, Da:	6.07
IP(EA), eV:	-8.98(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-ethyl-4-(2-methyl-1,4-oxazepan-4-yl)but-2-enoate

Drug info:

PubChemData

Smile

CCC(=CCN1CCC(CC1)(C)C)C(=O)O

DOS

IR

Vibrations