Geometry & MOs

Info

ID:	389258
PubChem CID:	134991879
Reduced:	FeNO2C24H24 (1)
Stoich.:	ABC2D24E24 (1)
Weight, g/mol:	293.141579
ΔH_f, kcal/mol:	74.99
Dipole, Da:	2.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.687348
Charge, e:	0

Chem-info

IUPAC name:

1,1-diphenyl-2-(1H-pyrrol-2-ylmethoxy)ethanol

Drug info:

PubChemData

Smile

C1=C[CH]C=C1.C1=CC=C(C=C1)C(COCC2=CC=CN2)(C3=CC=CC=C3)O.[Fe]

DOS

IR

Vibrations