Geometry & MOs

Info

ID:	126114
PubChem CID:	50952385
Reduced:	O2N5C20H23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	347.210996
ΔH_f, kcal/mol:	-16.85
Dipole, Da:	5.74
IP(EA), eV:	-8.54(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-phenyl-3-[[(2R)-pyrrolidin-2-yl]methyl]imidazol-4-yl]-2-propan-2-ylpyrimidine

Drug info:

PubChemData

Smile

C1CN2CCN(CC2C(=O)N1)C(=O)C3=CC=CC=C3NCC4=CC=CC=N4

DOS

IR

Vibrations