Geometry & MOs

Info

ID:	41887
PubChem CID:	8147645
Reduced:	OSN6C18H22 (1)
Stoich.:	ABC6D18E22 (1)
Weight, g/mol:	380.221226
ΔH_f, kcal/mol:	61.72
Dipole, Da:	8.51
IP(EA), eV:	-8.65(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2-[(1S)-1-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CCN(CC1=NC(=O)C2=CC=CC=C2N1)CN3C(=S)N(C(=N3)C4CC4)C

DOS

IR

Vibrations