Geometry & MOs

Info

ID:	185686
PubChem CID:	77332706
Reduced:	PCl2N2O4C32H37 (1)
Stoich.:	AB2C2D4E32F37 (1)
Weight, g/mol:	383.170828
ΔH_f, kcal/mol:	-149.37
Dipole, Da:	4.11
IP(EA), eV:	-9.06(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-4-(3,4-dimethoxyphenyl)-3-methyl-3-[4-(trifluoromethyl)phenyl]butan-1-ol

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N(C(CC(C)C)C(=O)P(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl)C(=O)OCC3=CC=CC=C3)N

DOS

IR

Vibrations