Geometry & MOs

Info

ID:	200572
PubChem CID:	79411777
Reduced:	BrNSC10H16 (1)
Stoich.:	ABCD10E16 (1)
Weight, g/mol:	235.204848
ΔH_f, kcal/mol:	0.71
Dipole, Da:	2.23
IP(EA), eV:	-9.29(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-butyl-4-methylpyrimidin-5-yl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCCC(CC1=CC(=CS1)Br)N

DOS

IR

Vibrations