Geometry & MOs

Info

ID:	193002
PubChem CID:	78336278
Reduced:	N2O5C23H30 (1)
Stoich.:	A2B5C23D30 (1)
Weight, g/mol:	457.175004
ΔH_f, kcal/mol:	-157.43
Dipole, Da:	3.3
IP(EA), eV:	-8.62(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(dimethylamino)-2-[(2,4-dioxo-4aH-quinazolin-3-yl)iminomethyl]phenoxy]-N-phenylacetamide

Drug info:

PubChemData

Smile

CN(C)CCN1C(C2=C(C1=O)OC3CCCCC3C2=O)C4=C(C(=CC=C4)OC)OC

DOS

IR

Vibrations