Geometry & MOs

Info

ID:	211047
PubChem CID:	80888285
Reduced:	SN5C15H27 (1)
Stoich.:	AB5C15D27 (1)
Weight, g/mol:	304.147016
ΔH_f, kcal/mol:	6.04
Dipole, Da:	2.26
IP(EA), eV:	-8.68(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclopentylmethylsulfanyl)-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)SCC2CCCC2)N(CC)CC

DOS

IR

Vibrations