Geometry & MOs

Info

ID:	296464
PubChem CID:	117576552
Reduced:	ON4C14H24 (1)
Stoich.:	AB4C14D24 (1)
Weight, g/mol:	245.164046
ΔH_f, kcal/mol:	-43.61
Dipole, Da:	2.92
IP(EA), eV:	-8.72(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carbonitrile

Drug info:

PubChemData

Smile

CCC(C)NC1=CC(=NC=N1)N2CCCC(C2)CO

DOS

IR

Vibrations