Geometry & MOs

Info

ID:	147062
PubChem CID:	53786601
Reduced:	NO3C8H19 (1)
Stoich.:	AB3C8D19 (1)
Weight, g/mol:	504.371579
ΔH_f, kcal/mol:	-142.82
Dipole, Da:	1.28
IP(EA), eV:	-8.79(1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9aR,11aS)-N-(2,5-ditert-butylphenyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydrocyclopenta[i]phenanthridine-1-carboxamide

Drug info:

PubChemData

Smile

CCOC(COCCO)N(C)C

DOS

IR

Vibrations