Geometry & MOs

Info

ID:	29919
PubChem CID:	838255
Reduced:	N2O3C17H22 (1)
Stoich.:	A2B3C17D22 (1)
Weight, g/mol:	313.038482
ΔH_f, kcal/mol:	-129.67
Dipole, Da:	3.54
IP(EA), eV:	-9.06(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-methyl-1-(1,2,4-triazol-1-yl)propyl] 2,4-dichlorobenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)[C@H]2C(=C(N(C(=O)N2)C)C)C(=O)OC)C

DOS

IR

Vibrations