Geometry & MOs

Info

ID:	192935
PubChem CID:	78326406
Reduced:	N2O3C22H24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	365.076018
ΔH_f, kcal/mol:	-50.39
Dipole, Da:	6.77
IP(EA), eV:	-8.95(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(2,4-dioxo-4aH-quinazolin-3-yl)iminomethyl]-6-nitrophenoxy]acetonitrile

Drug info:

PubChemData

Smile

CCCN(CC1C=C2C=C(C=CC2=NC1=O)C)C(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations