Geometry & MOs

Info

ID:	156219
PubChem CID:	56369657
Reduced:	S2N3O4C22H25 (1)
Stoich.:	A2B3C4D22E25 (1)
Weight, g/mol:	395.268511
ΔH_f, kcal/mol:	-139.83
Dipole, Da:	4.7
IP(EA), eV:	-9.04(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[butyl(ethyl)amino]phenyl]-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCOC(=O)CN(C)C(=O)C1=C(C2=C(S1)N=C(NC2=O)CSC3=C(C=CC(=C3)C)C)C

DOS

IR

Vibrations