Geometry & MOs

Info

ID:	314235
PubChem CID:	126620978
Reduced:	O2N5C16H19 (1)
Stoich.:	A2B5C16D19 (1)
Weight, g/mol:	159.056325
ΔH_f, kcal/mol:	-39.52
Dipole, Da:	7.47
IP(EA), eV:	-9.3(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5R)-5-chloro-2,4-dimethyl-4,5-dihydropyrimidin-6-amine

Drug info:

PubChemData

Smile

C1[C@H](CNC2=C1C(=O)N=C(N2)N)CCC3=CC=C(C=C3)C(=O)N

DOS

IR

Vibrations