Geometry & MOs

Info

ID:	170297
PubChem CID:	75215172
Reduced:	NPO5C7H14 (3)
Stoich.:	ABC5D7E14 (3)
Weight, g/mol:	500.194772
ΔH_f, kcal/mol:	-890.94
Dipole, Da:	6.19
IP(EA), eV:	-8.38(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methyl-2-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-[2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazole

Drug info:

PubChemData

Smile

CCN(CC)CC.C1CCC(CC1)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3CCC(=O)NC3=O)O)O

DOS

IR

Vibrations