Geometry & MOs

Info

ID:	133810
PubChem CID:	51591882
Reduced:	O3N5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	412.247441
ΔH_f, kcal/mol:	-32.33
Dipole, Da:	2.87
IP(EA), eV:	-8.22(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-hydroxy-1-[3-[(3R)-3-methylpiperidin-1-yl]propanoyl]piperidin-4-yl]methyl]quinazolin-4-one

Drug info:

PubChemData

Smile

C[C@@H](COC1=CC=C(C=C1)OC)NC(=O)C2=NC3=NC=NN3C(=C2)C(C)(C)C

DOS

IR

Vibrations