Geometry & MOs

Info

ID:	158251
PubChem CID:	56463233
Reduced:	O2F3N4C20H23 (1)
Stoich.:	A2B3C4D20E23 (1)
Weight, g/mol:	406.10044
ΔH_f, kcal/mol:	-155.49
Dipole, Da:	10.47
IP(EA), eV:	-8.43(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-[cyclopropyl(methyl)amino]propyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=NN1C2=CC=CC=C2C(F)(F)F)C(=O)NCC(C)N(C)C3CC3

DOS

IR

Vibrations