Geometry & MOs

Info

ID:	36399
PubChem CID:	8005548
Reduced:	N2O5H18C22 (1)
Stoich.:	A2B5C18D22 (1)
Weight, g/mol:	311.071306
ΔH_f, kcal/mol:	-145.97
Dipole, Da:	6.17
IP(EA), eV:	-9.36(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-4-phenylphenoxy)-1-(1H-pyrrol-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3C(=O)[C@@]4(CCOC5=CC=CC=C54)NC3=O

DOS

IR

Vibrations