Geometry & MOs

Info

ID:	13867
PubChem CID:	399456
Reduced:	N2O3C15H18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	274.131742
ΔH_f, kcal/mol:	-47.3
Dipole, Da:	8.61
IP(EA), eV:	-8.95(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-morpholin-4-ylbut-2-ynylamino)benzoic acid

Drug info:

PubChemData

Smile

C1COCCN1CC#CCNC2=CC=C(C=C2)C(=O)O

DOS

IR

Vibrations