Geometry & MOs

Info

ID:	247664
PubChem CID:	103072611
Reduced:	O2N3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	321.04767
ΔH_f, kcal/mol:	-32.59
Dipole, Da:	4.38
IP(EA), eV:	-9.18(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-[2-(ethylaminomethyl)prop-2-enyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CC(C)NCC(=C)CN1C2=C(C=CC=N2)OC1=O

DOS

IR

Vibrations