Geometry & MOs

Info

ID:	204792
PubChem CID:	80008405
Reduced:	SN2C12H24 (1)
Stoich.:	AB2C12D24 (1)
Weight, g/mol:	275.118925
ΔH_f, kcal/mol:	7.65
Dipole, Da:	3.43
IP(EA), eV:	-8.77(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(4-chlorophenyl)pyrimidin-2-yl]pentan-3-amine

Drug info:

PubChemData

Smile

CN1CCC(C1)CN(C)CC2(CC2)CS

DOS

IR

Vibrations