Geometry & MOs

Info

ID:	172739
PubChem CID:	75545621
Reduced:	N3O5C28H33 (1)
Stoich.:	A3B5C28D33 (1)
Weight, g/mol:	487.161759
ΔH_f, kcal/mol:	-182.23
Dipole, Da:	11.44
IP(EA), eV:	-9.06(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2,4-dioxo-4aH-quinazolin-1-ium-3-yl]phenyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CC1=CC=C(C=C1)N2C(=O)C3CCCCC3N(C2=O)CC4=C(C=CC(=C4)C=O)OC

DOS

IR

Vibrations