Geometry & MOs

Info

ID:	228523
PubChem CID:	87565204
Reduced:	N5O5H11C16 (1)
Stoich.:	A5B5C11D16 (1)
Weight, g/mol:	389.292994
ΔH_f, kcal/mol:	72.25
Dipole, Da:	3.86
IP(EA), eV:	-9.5(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N/N=C/2\C=CC(=O)C3=C2C=CC=N3

DOS

IR

Vibrations