Geometry & MOs

Info

ID:	336210
PubChem CID:	127255217
Reduced:	SO3N5C19H23 (1)
Stoich.:	AB3C5D19E23 (1)
Weight, g/mol:	407.232125
ΔH_f, kcal/mol:	-74.19
Dipole, Da:	3.24
IP(EA), eV:	-8.61(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(6-pyrrol-1-ylhexanoyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C1CN(CC(=O)N1)C(=O)CCC(=O)N2CCN(CC2)C3=NSC4=CC=CC=C43

DOS

IR

Vibrations