Geometry & MOs

Info

ID:	49669
PubChem CID:	11533499
Reduced:	N4C15H16 (2)
Stoich.:	A4B15C16 (2)
Weight, g/mol:	504.310041
ΔH_f, kcal/mol:	148.86
Dipole, Da:	3.14
IP(EA), eV:	-7.87(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethoxyphenyl)-2-[1-[4-(2-ethylhexanoyl)piperazin-1-yl]ethyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(N2)C=CC=C3N4CCN(CC4)CC5=C6C(=CC=C5)NC(=N6)NC#N

DOS

IR

Vibrations