Geometry & MOs

Info

ID:	164685
PubChem CID:	74437413
Reduced:	N2O2F3C21H27 (1)
Stoich.:	A2B2C3D21E27 (1)
Weight, g/mol:	431.220036
ΔH_f, kcal/mol:	-249.99
Dipole, Da:	9.35
IP(EA), eV:	-8.5(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-chloro-5-(dimethylamino)phenyl]methyl]-3-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)NCC1C(=O)CCCC2CCN(CC2)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations