Geometry & MOs

Info

ID:	262238
PubChem CID:	103278786
Reduced:	N3C7H10 (2)
Stoich.:	A3B7C10 (2)
Weight, g/mol:	282.184447
ΔH_f, kcal/mol:	71.77
Dipole, Da:	4.07
IP(EA), eV:	-8.63(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-(4-methylphenyl)pyrimidin-2-yl]piperidin-3-yl]methanamine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC(=NC=C2)N3CCCC(C3)CN

DOS

IR

Vibrations