Geometry & MOs

Info

ID:	420209
PubChem CID:	135111837
Reduced:	SN5O5C30H37 (1)
Stoich.:	AB5C5D30E37 (1)
Weight, g/mol:	364.163436
ΔH_f, kcal/mol:	-70.38
Dipole, Da:	7.84
IP(EA), eV:	-8.37(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methyl-3-oxopiperazin-1-yl)-4-(2,4,5-trimethoxyphenyl)butane-1,4-dione

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCN2C=CN=C2C3=CC(=C(C=C3)OC)OCCN(CC(=O)N1)C(=O)C4=C5CCCCC5=CS4

DOS

IR

Vibrations