Geometry & MOs

Info

ID:	120738
PubChem CID:	50742711
Reduced:	N2O5H14C18 (1)
Stoich.:	A2B5C14D18 (1)
Weight, g/mol:	422.195405
ΔH_f, kcal/mol:	-147.46
Dipole, Da:	4.51
IP(EA), eV:	-9.22(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-[2-(butylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(N2CC(=O)NC3=CC=CC=C3C(=O)O)C(=O)O

DOS

IR

Vibrations