Geometry & MOs

Info

ID:	162116
PubChem CID:	57393659
Reduced:	ClO2N3H16C20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	418.236021
ΔH_f, kcal/mol:	3.67
Dipole, Da:	1.19
IP(EA), eV:	-9.26(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(5-chloro-2-methylphenyl)-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-N-ethyl-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

C1C(=O)N(C(=O)C2=CC(=NN21)C3=CC=C(C=C3)Cl)CCC4=CC=CC=C4

DOS

IR

Vibrations