Geometry & MOs

Info

ID:	318665
PubChem CID:	126652667
Reduced:	NO3C10H15 (1)
Stoich.:	AB3C10D15 (1)
Weight, g/mol:	327.088688
ΔH_f, kcal/mol:	-100.89
Dipole, Da:	1.9
IP(EA), eV:	-9.82(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminopyrimidin-4-yl)-2-(2-chloro-4-methylphenyl)-1H-pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)N1C2CCCC1[C@@H]3[C@H]2O3

DOS

IR

Vibrations