Geometry & MOs

Info

ID:	216669
PubChem CID:	85086587
Reduced:	O4C17H22 (1)
Stoich.:	A4B17C22 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-158.51
Dipole, Da:	2.83
IP(EA), eV:	-9.71(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,7,7-trimethyl-3-(4-nitroanilino)bicyclo[2.2.1]heptan-2-ol

Drug info:

PubChemData

Smile

CC(C=CC(=O)OC)C1C(OC(O1)(C)C)C2=CC=CC=C2

DOS

IR

Vibrations