Geometry & MOs

Info

ID:	319864
PubChem CID:	126657425
Reduced:	SN2O2C24H35 (1)
Stoich.:	AB2C2D24E35 (1)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	-49.29
Dipole, Da:	6.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.126185
Charge, e:	0

Chem-info

IUPAC name:

7-(3-azabicyclo[3.2.1]octan-3-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC2CC[N+](CC2)(C)CC3=CC=CC=C3

DOS

IR

Vibrations