Geometry & MOs

Info

ID:	269861
PubChem CID:	103619454
Reduced:	BrN2O2H13C15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	218.080376
ΔH_f, kcal/mol:	-8.98
Dipole, Da:	7.8
IP(EA), eV:	-7.99(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-6-nitroquinazolin-4-amine

Drug info:

PubChemData

Smile

CCN\1C2=C(C=C(C=C2)Br)N/C1=C\3/C=CC(=O)C(=C3)O

DOS

IR

Vibrations