Geometry & MOs

Info

ID:	441357
PubChem CID:	135234327
Reduced:	NO3H17C19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	235.099714
ΔH_f, kcal/mol:	-47.39
Dipole, Da:	2.9
IP(EA), eV:	-8.3(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-phenyl-1H-pyrrol-3-yl)phenol

Drug info:

PubChemData

Smile

COC(=O)COC1=CC=C(C=C1)C2=CNC(=C2)C3=CC=CC=C3

DOS

IR

Vibrations