Geometry & MOs

Info

ID:	231235
PubChem CID:	87573104
Reduced:	S2N3O7C25H25 (1)
Stoich.:	A2B3C7D25E25 (1)
Weight, g/mol:	471.264768
ΔH_f, kcal/mol:	-173.17
Dipole, Da:	11.04
IP(EA), eV:	-9.1(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-methyl-N-phenylaniline;[(3R)-1-phenacyl-1-azoniabicyclo[2.2.2]octan-3-yl] acetate

Drug info:

PubChemData

Smile

C1CC1S(=O)(=O)C2=CC=C(C=C2)C(C(=O)NC3=NC=C(S3)OC4=CC=C(C=C4)C(=O)O)OC5CCNC5

DOS

IR

Vibrations