Geometry & MOs

Info

ID:	210422
PubChem CID:	80804430
Reduced:	O2N5C13H21 (1)
Stoich.:	A2B5C13D21 (1)
Weight, g/mol:	250.190595
ΔH_f, kcal/mol:	12.09
Dipole, Da:	5.77
IP(EA), eV:	-8.85(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CN(C)CC1CCN(CC1)C2=C(C=CC(=N2)N)[N+](=O)[O-]

DOS

IR

Vibrations