Geometry & MOs

Info

ID:	421670
PubChem CID:	135116404
Reduced:	ON5C19H25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	347.232125
ΔH_f, kcal/mol:	3.01
Dipole, Da:	2.9
IP(EA), eV:	-8.36(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperidin-4-yl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CNC(=O)C(C1=CC=CC=C1)NC2=NC(=NC3=C2CCCC3)N(C)C

DOS

IR

Vibrations