Geometry & MOs

Info

ID:	380455
PubChem CID:	134970906
Reduced:	NOC21H22 (1)
Stoich.:	ABC21D22 (1)
Weight, g/mol:	305.177964
ΔH_f, kcal/mol:	52.39
Dipole, Da:	2.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.869745
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(cyclopenta-2,4-dien-1-ylmethylamino)-1,1-diphenylpropan-1-ol

Drug info:

PubChemData

Smile

C[C@@H](C(C1=CC=CC=C1)(C2=CC=CC=C2)O)NCC3=C[CH-]C=C3

DOS

IR

Vibrations