Geometry & MOs

Info

ID:	330707
PubChem CID:	127248114
Reduced:	ON2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	344.221226
ΔH_f, kcal/mol:	-60.08
Dipole, Da:	3.97
IP(EA), eV:	-9.47(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-methyl-4-[2-methyl-6-(2-methylpyrrolidine-1-carbonyl)pyrimidin-4-yl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCN(C)C(=O)C1=NN=C(C=C1)CC2CCCN(C2)C(=O)C

DOS

IR

Vibrations