Geometry & MOs

Info

ID:	37112
PubChem CID:	8017023
Reduced:	NO4C17H29 (1)
Stoich.:	AB4C17D29 (1)
Weight, g/mol:	351.041556
ΔH_f, kcal/mol:	-162.2
Dipole, Da:	2.45
IP(EA), eV:	-8.26(0.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1S,5R,6R)-2-amino-6-(2,6-dichlorophenyl)-4,4-dimethoxy-3-azoniabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile

Drug info:

PubChemData

Smile

CC(C)CCNC[C@H](COCC1=CC(=C(C=C1)OC)OC)O

DOS

IR

Vibrations