Geometry & MOs

Info

ID:	288350
PubChem CID:	104315220
Reduced:	Br2O2N3H13C14 (1)
Stoich.:	A2B2C3D13E14 (1)
Weight, g/mol:	347.02694
ΔH_f, kcal/mol:	-29.11
Dipole, Da:	3.25
IP(EA), eV:	-9.19(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromopyridin-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)C2=C(C=C(C=N2)Br)Br)C)C(C)C(=O)O

DOS

IR

Vibrations