Geometry & MOs

Info

ID:	120934
PubChem CID:	50751132
Reduced:	ON4C17H22 (1)
Stoich.:	AB4C17D22 (1)
Weight, g/mol:	388.189926
ΔH_f, kcal/mol:	-2.9
Dipole, Da:	1.35
IP(EA), eV:	-8.8(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]-2-pyrrolidin-1-ylacetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NN(C(=N2)N)C(=O)C3CCCCC3)C

DOS

IR

Vibrations