Geometry & MOs

Info

ID:	146918
PubChem CID:	53771447
Reduced:	S3O6N10C19H22 (1)
Stoich.:	A3B6C10D19E22 (1)
Weight, g/mol:	300.183778
ΔH_f, kcal/mol:	-65.94
Dipole, Da:	5.13
IP(EA), eV:	-9.06(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-1-azabicyclo[2.2.2]octan-3-yl] 1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N(C)N=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4C)C(=O)O

DOS

IR

Vibrations