Geometry & MOs

Info

ID:	62299
PubChem CID:	26719066
Reduced:	O2N5C24H25 (1)
Stoich.:	A2B5C24D25 (1)
Weight, g/mol:	321.147727
ΔH_f, kcal/mol:	9.06
Dipole, Da:	6.25
IP(EA), eV:	-9.22(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-N-phenylprop-2-enamide

Drug info:

PubChemData

Smile

CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC(=O)C3=CC(=NC4=CC=CC=C43)C(C)C)C

DOS

IR

Vibrations