Geometry & MOs

Info

ID:	210290
PubChem CID:	80785638
Reduced:	FN4C12H21 (1)
Stoich.:	AB4C12D21 (1)
Weight, g/mol:	291.180758
ΔH_f, kcal/mol:	-39.8
Dipole, Da:	3.22
IP(EA), eV:	-8.55(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC1=NC=C(C(=N1)NCCC(C)C)F

DOS

IR

Vibrations