Geometry & MOs

Info

ID:	270701
PubChem CID:	103637747
Reduced:	FN4C12H19 (1)
Stoich.:	AB4C12D19 (1)
Weight, g/mol:	260.174945
ΔH_f, kcal/mol:	1.15
Dipole, Da:	2.53
IP(EA), eV:	-8.93(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-cyclopropyl-N'-ethyl-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CCN(CCNC1=NC=NC(=C1F)C)C2CC2

DOS

IR

Vibrations