Geometry & MOs

Info

ID:	304462
PubChem CID:	124752907
Reduced:	ON2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	367.237211
ΔH_f, kcal/mol:	-18.99
Dipole, Da:	3.48
IP(EA), eV:	-8.52(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-methyl-1-(3-piperidin-1-ylazetidin-1-yl)-2-(quinazolin-4-ylamino)butan-1-one

Drug info:

PubChemData

Smile

COC[C@@H]1CCN(C1)CCC2=CC=CC=N2

DOS

IR

Vibrations