Geometry & MOs

Info

ID:	447651
PubChem CID:	135284479
Reduced:	FON5C19H24 (1)
Stoich.:	ABC5D19E24 (1)
Weight, g/mol:	447.213362
ΔH_f, kcal/mol:	-18.64
Dipole, Da:	5.3
IP(EA), eV:	-8.61(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2-amino-2,4-dimethylpentoxy)-3-(trifluoromethyl)phenyl]-N-(furan-2-ylmethyl)pyridin-3-amine

Drug info:

PubChemData

Smile

CC(C)C[C@@](C)(COC1=CC(=C(C=C1)C2=CC(=NC3=CC=NN32)N)F)N

DOS

IR

Vibrations