Geometry & MOs

Info

ID:	120885
PubChem CID:	50748450
Reduced:	ON5C24H27 (1)
Stoich.:	AB5C24D27 (1)
Weight, g/mol:	331.237211
ΔH_f, kcal/mol:	15.21
Dipole, Da:	7.57
IP(EA), eV:	-8.32(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-1-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC3=CC(=NC(=N3)C)N4CCCCC4

DOS

IR

Vibrations