Geometry & MOs

Info

ID:	188162
PubChem CID:	77675945
Reduced:	O2F3N3C14H18 (1)
Stoich.:	A2B3C3D14E18 (1)
Weight, g/mol:	354.155512
ΔH_f, kcal/mol:	-206.1
Dipole, Da:	4.12
IP(EA), eV:	-8.75(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-diamino-5-phenyl-4-[3-(trifluoromethyl)phenyl]pentane-1,3-diol

Drug info:

PubChemData

Smile

CC(C)C1C(CNN1)CC(=O)OC2=NC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations