Geometry & MOs

Info

ID:	80524
PubChem CID:	49834927
Reduced:	ClNOC22H22 (1)
Stoich.:	ABCD22E22 (1)
Weight, g/mol:	351.138992
ΔH_f, kcal/mol:	1.15
Dipole, Da:	2.18
IP(EA), eV:	-8.3(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R)-1-(4-chlorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N[C@H](C[C@@H](C2=CC=C(C=C2)Cl)O)C3=CC=CC=C3

DOS

IR

Vibrations