Geometry & MOs

Info

ID:	233875
PubChem CID:	92126155
Reduced:	ON2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	441.27399
ΔH_f, kcal/mol:	-56.87
Dipole, Da:	3.23
IP(EA), eV:	-8.87(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=C(CCCC2)C(=N1)N3CCC(CC3)NC(=O)C4CC5=CC=CC=C5CO4

DOS

IR

Vibrations