Geometry & MOs

Info

ID:	402903
PubChem CID:	135057769
Reduced:	ON2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	238.050905
ΔH_f, kcal/mol:	56.61
Dipole, Da:	6.16
IP(EA), eV:	-9.28(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-chloro-2H-quinazoline-1-carboxylate

Drug info:

PubChemData

Smile

C1CCC(C1)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)NCC4=CC=CC=C4

DOS

IR

Vibrations