Geometry & MOs

Info

ID:	32152
PubChem CID:	4266393
Reduced:	SO2N5C35H49 (1)
Stoich.:	AB2C5D35E49 (1)
Weight, g/mol:	493.160471
ΔH_f, kcal/mol:	-59.53
Dipole, Da:	4.63
IP(EA), eV:	-8.8(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(3-chlorophenyl)piperazin-1-yl]-4-N,4-N-dimethyl-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=O)CC(C)CC(C)(C)C)C(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3C)CC4=CC=CC=C4

DOS

IR

Vibrations