Geometry & MOs

Info

ID:	219246
PubChem CID:	85096694
Reduced:	NO2C14H22 (2)
Stoich.:	AB2C14D22 (2)
Weight, g/mol:	472.330108
ΔH_f, kcal/mol:	-237.1
Dipole, Da:	4.87
IP(EA), eV:	-9.25(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-(tert-butylcarbamoyl)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-cyclopenta[i]phenanthridine-5-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1CCC2C1(CCC3C2CN(C4=CC(=O)CCC34C)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations