Geometry & MOs

Info

ID:	313760
PubChem CID:	126617471
Reduced:	ClO2F3N4C28H30 (1)
Stoich.:	AB2C3D4E28F30 (1)
Weight, g/mol:	438.078094
ΔH_f, kcal/mol:	-204.38
Dipole, Da:	6.93
IP(EA), eV:	-9.82(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-chloro-3-[4-(4-chloro-3-propan-2-ylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methanamine;hydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=CC(=C1)C2=NC(=O)N=C(N2)C3=C(C=CC(=C3)CNC(=O)C4(CCCCC4)C(F)(F)F)Cl

DOS

IR

Vibrations