Geometry & MOs

Info

ID:	210395
PubChem CID:	80798735
Reduced:	N3C12H19 (1)
Stoich.:	A3B12C19 (1)
Weight, g/mol:	273.099252
ΔH_f, kcal/mol:	10.14
Dipole, Da:	1.46
IP(EA), eV:	-8.01(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate

Drug info:

PubChemData

Smile

CCNC1=NC(=CC=C1)N2CCC(C2)C

DOS

IR

Vibrations