Geometry & MOs

Info

ID:	82926
PubChem CID:	49856820
Reduced:	N5C9H17 (1)
Stoich.:	A5B9C17 (1)
Weight, g/mol:	283.179696
ΔH_f, kcal/mol:	21.25
Dipole, Da:	2.58
IP(EA), eV:	-8.76(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC(C)(CN)CNC1=NC(=NC=C1)N

DOS

IR

Vibrations