Geometry & MOs

Info

ID:	393648
PubChem CID:	135021424
Reduced:	NO4C24H31 (1)
Stoich.:	AB4C24D31 (1)
Weight, g/mol:	279.162314
ΔH_f, kcal/mol:	-150.85
Dipole, Da:	2.05
IP(EA), eV:	-8.52(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-methoxyphenyl)-5,5-dimethyl-2-phenyl-2H-pyrrole

Drug info:

PubChemData

Smile

CC(=CC([C@@H](C1=CC=CC=C1)N(C2=CC=C(C=C2)OC)C(=O)OC(C)(C)C)O)C

DOS

IR

Vibrations