Geometry & MOs

Info

ID:	68241
PubChem CID:	46508033
Reduced:	FN3O6C18H18 (1)
Stoich.:	AB3C6D18E18 (1)
Weight, g/mol:	410.15902
ΔH_f, kcal/mol:	-283.52
Dipole, Da:	4.25
IP(EA), eV:	-9.5(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 4-(1,2,4-triazol-1-ylmethyl)benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)C2CC(=O)NC3=C2C=CC(=C3)F

DOS

IR

Vibrations