Geometry & MOs

Info

ID:	319383
PubChem CID:	126655835
Reduced:	NOH25C26 (1)
Stoich.:	ABC25D26 (1)
Weight, g/mol:	393.06872
ΔH_f, kcal/mol:	20.82
Dipole, Da:	3.98
IP(EA), eV:	-8.41(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,6-dichlorophenyl)-2-(2-methylphenyl)-6-pyrrol-1-ylphenol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=C(C(=CC(=C2)C3=C(C=C(C=C3C)C)C)N4C=CC=C4)O

DOS

IR

Vibrations