Geometry & MOs

Info

ID:	120742
PubChem CID:	50742896
Reduced:	N2O6H24C27 (1)
Stoich.:	A2B6C24D27 (1)
Weight, g/mol:	508.232185
ΔH_f, kcal/mol:	-132.51
Dipole, Da:	6.66
IP(EA), eV:	-8.8(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-[2-(butylamino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-cyclopropylbenzamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)C(=O)C(=CN2CC(=O)C3=C(C=CC(=C3)OC)OC)C(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations