Geometry & MOs

Info

ID:	206773
PubChem CID:	80299135
Reduced:	FSN2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	194.153147
ΔH_f, kcal/mol:	1.55
Dipole, Da:	2.42
IP(EA), eV:	-9.21(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(5-methylpyrimidin-2-yl)pentane-1,4-diamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)CCNCC2=CSC=N2

DOS

IR

Vibrations