Geometry & MOs

Info

ID:	297322
PubChem CID:	117615099
Reduced:	NO2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	191.1674
ΔH_f, kcal/mol:	-103.71
Dipole, Da:	6.88
IP(EA), eV:	-9.13(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR)-4a,5,6-trimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-imine

Drug info:

PubChemData

Smile

C=C(C1=CC=CC=C1C(=O)O)NC(CN)C2=CC=C(C=C2)C(=O)O

DOS

IR

Vibrations