Geometry & MOs

Info

ID:	159613
PubChem CID:	57288535
Reduced:	N2O4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	437.131089
ΔH_f, kcal/mol:	-128.95
Dipole, Da:	3.31
IP(EA), eV:	-8.75(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2,5-dimethyl-4-[4-(1,2,4-triazol-1-yl)-2-(trifluoromethyl)benzoyl]pyrazol-3-yl]oxypropanoate

Drug info:

PubChemData

Smile

CC1=C(NC(=C1CCC(=O)O)C)C=C2C3=C(C=C(C=C3)OC)NC2=O

DOS

IR

Vibrations