Geometry & MOs

Info

ID:	371447
PubChem CID:	127346432
Reduced:	ON5C16H19 (1)
Stoich.:	AB5C16D19 (1)
Weight, g/mol:	355.212058
ΔH_f, kcal/mol:	45.87
Dipole, Da:	3.0
IP(EA), eV:	-8.92(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone

Drug info:

PubChemData

Smile

C1CC2CN(CCN2C1)C(=O)C3=CC(=NC=C3)N4C=CC=N4

DOS

IR

Vibrations