Geometry & MOs

Info

ID:	313671
PubChem CID:	126616937
Reduced:	ClO3N4C25H27 (1)
Stoich.:	AB3C4D25E27 (1)
Weight, g/mol:	658.513217
ΔH_f, kcal/mol:	-11.86
Dipole, Da:	3.41
IP(EA), eV:	-9.28(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-decanoyloxy-4-(trimethylazaniumyl)butanoate;3-dodecanoyloxy-4-(trimethylazaniumyl)butanoate

Drug info:

PubChemData

Smile

CCCC(=O)N1C2CCC1CC(C2)NC3=C(C=CC(=C3)C(C#N)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

DOS

IR

Vibrations