Geometry & MOs

Info

ID:	193351
PubChem CID:	78379576
Reduced:	O7C22H26 (1)
Stoich.:	A7B22C26 (1)
Weight, g/mol:	366.09642
ΔH_f, kcal/mol:	-267.88
Dipole, Da:	3.5
IP(EA), eV:	-8.53(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-nitro-4-prop-2-enoxyphenyl)methylideneamino]-4aH-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

CCCC1CC2C(CC1OCC(=O)O)OC=C(C2=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations