Geometry & MOs

Info

ID:	138552
PubChem CID:	52384583
Reduced:	O2N3C20H27 (1)
Stoich.:	A2B3C20D27 (1)
Weight, g/mol:	287.187186
ΔH_f, kcal/mol:	-53.72
Dipole, Da:	3.18
IP(EA), eV:	-8.55(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3-(2-methylprop-2-enoxy)phenyl]methyl-[(2R)-2-(1,2,4-triazol-1-yl)propyl]azanium

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CCCC(=O)N(C)[C@H](C)C2=NC=NC=C2)C

DOS

IR

Vibrations