Geometry & MOs

Info

ID:	89637
PubChem CID:	49963244
Reduced:	ClON2H13C16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	221.060742
ΔH_f, kcal/mol:	41.82
Dipole, Da:	2.85
IP(EA), eV:	-9.5(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chlorophenyl)-(1-methylpyrrol-2-yl)methanol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(C2=CC(=CC=C2)Cl)O)N3C=CC=N3

DOS

IR

Vibrations