Geometry & MOs

Info

ID:	264134
PubChem CID:	103431795
Reduced:	N3C11H19 (1)
Stoich.:	A3B11C19 (1)
Weight, g/mol:	293.075346
ΔH_f, kcal/mol:	1.75
Dipole, Da:	1.53
IP(EA), eV:	-9.61(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]ethanamine

Drug info:

PubChemData

Smile

CCCCC1=NC=C(C(=N1)C)[C@@H](C)N

DOS

IR

Vibrations