Geometry & MOs

Info

ID:	231641
PubChem CID:	87574359
Reduced:	O3C17H30 (1)
Stoich.:	A3B17C30 (1)
Weight, g/mol:	385.198814
ΔH_f, kcal/mol:	-149.44
Dipole, Da:	4.26
IP(EA), eV:	-9.88(0.71)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[2-(4-acetyl-5-methyltriazol-1-yl)-3,3-diethyl-4-phenyl-1H-triazol-3-ium-5-yl]acetic acid

Drug info:

PubChemData

Smile

CCCC(CC(=O)CC(CCC)C(C=C)O)C(C=C)O

DOS

IR

Vibrations