Geometry & MOs

Info

ID:	136830
PubChem CID:	52109033
Reduced:	ON4C18H29 (1)
Stoich.:	AB4C18D29 (1)
Weight, g/mol:	297.207922
ΔH_f, kcal/mol:	-20.78
Dipole, Da:	3.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.077434
Charge, e:	1

Chem-info

IUPAC name:

2-[(3R)-3-methylpiperidin-1-yl]-4-pyrrolidin-1-ylquinazolin-3-ium

Drug info:

PubChemData

Smile

CCN(CC)C1=[NH+]C(=NC2=CC=CC=C21)NCCCOC(C)C

DOS

IR

Vibrations