Geometry & MOs

Info

ID:	177948
PubChem CID:	76256157
Reduced:	NO2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	436.211055
ΔH_f, kcal/mol:	-110.78
Dipole, Da:	6.73
IP(EA), eV:	-8.57(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C=CC(=O)NCC(C2=CC=C(O2)C)N3CCOCC3

DOS

IR

Vibrations