Geometry & MOs

Info

ID:	136849
PubChem CID:	52112082
Reduced:	ON2C12H12 (2)
Stoich.:	AB2C12D12 (2)
Weight, g/mol:	423.254872
ΔH_f, kcal/mol:	17.75
Dipole, Da:	4.86
IP(EA), eV:	-8.38(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(4-benzylpiperidin-1-yl)-N-[(1R)-1-phenylethyl]quinazolin-3-ium-4-amine

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NC2=NC(=NC3=CC=CC=C32)NC4=CC(=CC(=C4)OC)OC

DOS

IR

Vibrations