Geometry & MOs

Info

ID:	51262
PubChem CID:	12013905
Reduced:	ClON2H11C12 (2)
Stoich.:	ABC2D11E12 (2)
Weight, g/mol:	520.232185
ΔH_f, kcal/mol:	-33.2
Dipole, Da:	2.55
IP(EA), eV:	-9.61(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-2,2-dimethylcyclobutyl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1(C(CC1CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)CC4=NC(=O)C5=C(N4)C=C(C=C5)Cl)C

DOS

IR

Vibrations