Geometry & MOs

Info

ID:	417000
PubChem CID:	135091073
Reduced:	SN3O4H13C14 (1)
Stoich.:	AB3C4D13E14 (1)
Weight, g/mol:	242.129824
ΔH_f, kcal/mol:	-87.31
Dipole, Da:	7.54
IP(EA), eV:	-9.29(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(5-chloro-2-methylpyrimidin-4-yl)-3-N,3-N-dimethylbutane-1,3-diamine

Drug info:

PubChemData

Smile

CC1=CSC2=C1N=CN=C2N3C[C@]4(C[C@]4(C3)C(=O)O)C(=O)O

DOS

IR

Vibrations