Geometry & MOs

Info

ID:	423125
PubChem CID:	135118973
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	299.185844
ΔH_f, kcal/mol:	-88.1
Dipole, Da:	4.69
IP(EA), eV:	-9.42(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC(C1=NC=CC(=C1)C)NC(=O)C2=CC=C(C=C2)C(=O)N3CCOCC3

DOS

IR

Vibrations