Geometry & MOs

Info

ID:	152931
PubChem CID:	56312025
Reduced:	N3O3C24H29 (1)
Stoich.:	A3B3C24D29 (1)
Weight, g/mol:	431.243359
ΔH_f, kcal/mol:	-97.98
Dipole, Da:	3.34
IP(EA), eV:	-9.17(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)NC3=CC=C(C=C3)C(=O)C

DOS

IR

Vibrations