Geometry & MOs

Info

ID:	167231
PubChem CID:	74796314
Reduced:	O3N4C19H30 (1)
Stoich.:	A3B4C19D30 (1)
Weight, g/mol:	447.284555
ΔH_f, kcal/mol:	-109.04
Dipole, Da:	6.44
IP(EA), eV:	-8.86(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-[4-(2-methoxyethyl)piperazin-1-yl]-3-oxopropyl]-3-[4-(2-methylpropoxy)phenyl]-1,2,4-triazinan-5-one

Drug info:

PubChemData

Smile

CCN(C)C(=O)CCC1C(=O)NC(NN1)C2=CC=C(C=C2)OCC(C)C

DOS

IR

Vibrations