Geometry & MOs

Info

ID:	80716
PubChem CID:	49836339
Reduced:	SiO3C14H28 (1)
Stoich.:	AB3C14D28 (1)
Weight, g/mol:	427.145596
ΔH_f, kcal/mol:	-205.05
Dipole, Da:	3.99
IP(EA), eV:	-8.77(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-difluorophenyl)-1-[(4-nitrophenyl)methyl-prop-2-ynylamino]-3-(1,2,4-triazol-1-yl)propan-2-ol

Drug info:

PubChemData

Smile

CCC(=O)C[C@H](/C=C/CO)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations