Geometry & MOs

Info

ID:	32087
PubChem CID:	4265988
Reduced:	NO5C25H25 (1)
Stoich.:	AB5C25D25 (1)
Weight, g/mol:	336.085855
ΔH_f, kcal/mol:	-143.27
Dipole, Da:	4.08
IP(EA), eV:	-8.9(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dimethyl-4-[[2-(3-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]pyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)CC3COC4=CC=CC=C4O3)C

DOS

IR

Vibrations