Geometry & MOs

Info

ID:	127485
PubChem CID:	51003434
Reduced:	NOC6H7 (4)
Stoich.:	ABC6D7 (4)
Weight, g/mol:	290.260966
ΔH_f, kcal/mol:	-54.05
Dipole, Da:	5.26
IP(EA), eV:	-8.25(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R,4aR,7E,11Z,12aS)-4,7,11-trimethyl-1-propan-2-yl-2,3,4a,5,6,9,10,12a-octahydro-1H-benzo[10]annulen-4-ol

Drug info:

PubChemData

Smile

CC(C)([C@H](C(=O)NO)NC(=O)N1CCN(CC1)C2=CC=C(C=C2)C#CC3=CC=CC=C3)O

DOS

IR

Vibrations