Geometry & MOs

Info

ID:	1571
PubChem CID:	4709
Reduced:	BrON4H15C17 (1)
Stoich.:	ABC4D15E17 (1)
Weight, g/mol:	370.04292
ΔH_f, kcal/mol:	34.65
Dipole, Da:	4.92
IP(EA), eV:	-8.65(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-bromoanilino)quinazolin-6-yl]propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations