Geometry & MOs

Info

ID:	148744
PubChem CID:	53788413
Reduced:	NPO6C30H54 (1)
Stoich.:	ABC6D30E54 (1)
Weight, g/mol:	393.145534
ΔH_f, kcal/mol:	-352.8
Dipole, Da:	1.63
IP(EA), eV:	-8.6(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-chlorophenoxy)-2,2-dimethyl-3-oxo-4-(1,2,4-triazol-1-yl)butyl] 2-methylbutanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCOC1=CC=C(C=C1)CC(COP(O)OCCCCN(C)C)OC=O

DOS

IR

Vibrations