Geometry & MOs

Info

ID:	1570
PubChem CID:	4708
Reduced:	BrON4H13C17 (1)
Stoich.:	ABC4D13E17 (1)
Weight, g/mol:	368.02727
ΔH_f, kcal/mol:	63.54
Dipole, Da:	7.54
IP(EA), eV:	-8.62(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-bromoanilino)quinazolin-6-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br

DOS

IR

Vibrations