Geometry & MOs

Info

ID:	31826
PubChem CID:	3719903
Reduced:	N4O5C25H28 (1)
Stoich.:	A4B5C25D28 (1)
Weight, g/mol:	516.273656
ΔH_f, kcal/mol:	-113.12
Dipole, Da:	6.13
IP(EA), eV:	-9.5(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[5-[3-[2-(diethylamino)ethyl]-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide

Drug info:

PubChemData

Smile

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCOC(C3)COC4=CN=CC(=C4)C(=O)OC

DOS

IR

Vibrations