Geometry & MOs

Info

ID:	323237
PubChem CID:	126673754
Reduced:	BrN4O4H29C33 (1)
Stoich.:	AB4C4D29E33 (1)
Weight, g/mol:	188.058578
ΔH_f, kcal/mol:	1.76
Dipole, Da:	2.56
IP(EA), eV:	-8.39(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl quinazoline-7-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC)C3=NC4=C(O3)C=CC(=C4)N5C6=C7C(=N5)CCCOC7=CC(=C6)Br

DOS

IR

Vibrations