Geometry & MOs

Info

ID:	372448
PubChem CID:	131297818
Reduced:	NO3H9C11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	235.077933
ΔH_f, kcal/mol:	-43.61
Dipole, Da:	2.16
IP(EA), eV:	-8.69(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-amino-1-methylpyrrol-2-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=COC2=C1C=C(C(=C2OC)O)C#N

DOS

IR

Vibrations