Geometry & MOs

Info

ID:	322029
PubChem CID:	126668330
Reduced:	O4H8C11 (2)
Stoich.:	A4B8C11 (2)
Weight, g/mol:	399.157677
ΔH_f, kcal/mol:	-254.97
Dipole, Da:	5.17
IP(EA), eV:	-8.84(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2-methyl-2-phenylpropyl)amino]propan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)OC(=O)O)C(=O)OC3=CC=C(C=C3)O

DOS

IR

Vibrations