Geometry & MOs

Info

ID:	149943
PubChem CID:	53789625
Reduced:	PN2O7C11H15 (1)
Stoich.:	AB2C7D11E15 (1)
Weight, g/mol:	202.19328
ΔH_f, kcal/mol:	-280.5
Dipole, Da:	3.86
IP(EA), eV:	-10.21(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethoxyethoxymethyl)heptane

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])C[C@@H](C(=O)O)N)CCP(=O)(O)O

DOS

IR

Vibrations