Geometry & MOs

Info

ID:	405264
PubChem CID:	135073286
Reduced:	N2C21H24 (1)
Stoich.:	A2B21C24 (1)
Weight, g/mol:	237.172879
ΔH_f, kcal/mol:	113.23
Dipole, Da:	1.3
IP(EA), eV:	-8.48(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(hept-2-yn-4-ylideneamino)pentanoate

Drug info:

PubChemData

Smile

CCCCC/C=N/N(CC#CC1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations