Geometry & MOs

Info

ID:	41829
PubChem CID:	8147200
Reduced:	SO2N4C23H28 (1)
Stoich.:	AB2C4D23E28 (1)
Weight, g/mol:	392.221226
ΔH_f, kcal/mol:	-29.32
Dipole, Da:	3.52
IP(EA), eV:	-8.49(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-1-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]ethyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)CC3=NC4=C(C5=C(S4)CCC5)C(=O)N3

DOS

IR

Vibrations