Geometry & MOs

Info

ID:	58313
PubChem CID:	24697757
Reduced:	N2O5H12C14 (1)
Stoich.:	A2B5C12D14 (1)
Weight, g/mol:	227.131014
ΔH_f, kcal/mol:	-170.6
Dipole, Da:	10.41
IP(EA), eV:	-9.48(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-but-3-ynoxyphenyl)-1,2,3,6-tetrahydropyridine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=CC(=O)NC(=C2)O

DOS

IR

Vibrations