Geometry & MOs

Info

ID:	41903
PubChem CID:	8147719
Reduced:	OSN6C22H24 (1)
Stoich.:	ABC6D22E24 (1)
Weight, g/mol:	419.184506
ΔH_f, kcal/mol:	66.63
Dipole, Da:	7.41
IP(EA), eV:	-8.64(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[ethyl-[(6-ethyl-7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl]amino]methyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CCN(CC1=NC(=O)C2=CC=CC=C2N1)CN3C(=S)N(C(=N3)CC4=CC=CC=C4)C

DOS

IR

Vibrations