Geometry & MOs

Info

ID:	167504
PubChem CID:	74837632
Reduced:	FN4O5C29H33 (1)
Stoich.:	AB4C5D29E33 (1)
Weight, g/mol:	555.305684
ΔH_f, kcal/mol:	-162.73
Dipole, Da:	4.13
IP(EA), eV:	-8.48(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-ethoxyethoxy)-3-methoxyphenyl]-6-[3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]-1,2,4-triazinan-5-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CCNC(=O)CCC2C(=O)NC(NN2)C3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)OC

DOS

IR

Vibrations