Geometry & MOs

Info

ID:	149528
PubChem CID:	53789201
Reduced:	C11H20 (1)
Stoich.:	A11B20 (1)
Weight, g/mol:	300.119796
ΔH_f, kcal/mol:	-0.12
Dipole, Da:	0.21
IP(EA), eV:	-9.79(2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-3-amino-1-(1,2,4-triazol-1-yl)-2-[4-(trifluoromethyl)phenyl]butan-1-ol

Drug info:

PubChemData

Smile

CCCC#CCC(C)(C)CC

DOS

IR

Vibrations