Geometry & MOs

Info

ID:	193056
PubChem CID:	78337592
Reduced:	ON2F3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	459.07937
ΔH_f, kcal/mol:	-192.91
Dipole, Da:	3.2
IP(EA), eV:	-9.21(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-bromo-4-butan-2-yloxy-5-ethoxyphenyl)methylideneamino]-4aH-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(NC3CCCCC3C2=O)C(F)(F)F

DOS

IR

Vibrations