Geometry & MOs

Info

ID:	138471
PubChem CID:	52370578
Reduced:	O2F3N3C19H26 (1)
Stoich.:	A2B3C3D19E26 (1)
Weight, g/mol:	371.180719
ΔH_f, kcal/mol:	-210.55
Dipole, Da:	8.21
IP(EA), eV:	-9.16(0.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4,6-diamino-1,3,5-triazin-2-yl)methyl-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-methylazanium

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC(F)(F)F)C)CN(C)CC(=O)N(C)C(C)(C)C#N

DOS

IR

Vibrations