Geometry & MOs

Info

ID:	29174
PubChem CID:	832152
Reduced:	NOH5C6 (3)
Stoich.:	ABC5D6 (3)
Weight, g/mol:	294.111676
ΔH_f, kcal/mol:	17.85
Dipole, Da:	3.95
IP(EA), eV:	-9.03(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-phenyl-N-(1H-pyrrol-2-ylmethylideneamino)-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NN=CC3=CC(=CC=C3)O

DOS

IR

Vibrations