Geometry & MOs

Info

ID:	252768
PubChem CID:	103113985
Reduced:	ON3C6H11 (2)
Stoich.:	AB3C6D11 (2)
Weight, g/mol:	300.146537
ΔH_f, kcal/mol:	-59.12
Dipole, Da:	4.21
IP(EA), eV:	-9.28(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-ethyl-N-methylpropanamide

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)OC)NC(C)C(=O)N(C)CC

DOS

IR

Vibrations