Geometry & MOs

Info

ID:	413431
PubChem CID:	135086380
Reduced:	N2O2C15H17 (1)
Stoich.:	A2B2C15D17 (1)
Weight, g/mol:	269.116427
ΔH_f, kcal/mol:	29.39
Dipole, Da:	5.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.838550
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1-methylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CC#CC1=CC=C(C=C1)OC)/C(=C/[N+]#N)/O

DOS

IR

Vibrations