Geometry & MOs

Info

ID:	69118
PubChem CID:	46519032
Reduced:	O2N3C14H21 (1)
Stoich.:	A2B3C14D21 (1)
Weight, g/mol:	407.113999
ΔH_f, kcal/mol:	-71.29
Dipole, Da:	5.54
IP(EA), eV:	-8.23(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(2-ethylphenyl)-6-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CN=C(C=C1)N2CCOCC2

DOS

IR

Vibrations