Geometry & MOs

Info

ID:	153841
PubChem CID:	56313162
Reduced:	O2N4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	413.07389
ΔH_f, kcal/mol:	-13.98
Dipole, Da:	3.57
IP(EA), eV:	-9.41(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-phenylbutyl)acetamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1=CC(=CC=C1)NC(=O)CCN2C=CN=C2)C3=CC=CC=C3

DOS

IR

Vibrations