Geometry & MOs

Info

ID:	214667
PubChem CID:	85083373
Reduced:	INO4C27H42 (1)
Stoich.:	ABC4D27E42 (1)
Weight, g/mol:	444.311384
ΔH_f, kcal/mol:	-111.94
Dipole, Da:	14.6
IP(EA), eV:	-7.31(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

triethyl-[(3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)oxycarbonyloxymethyl]azanium

Drug info:

PubChemData

Smile

CC[N+](CC)(CC)COC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)OC)C.[I-]

DOS

IR

Vibrations