Geometry & MOs

Info

ID:	189988
PubChem CID:	77936785
Reduced:	NC24H29 (1)
Stoich.:	AB24C29 (1)
Weight, g/mol:	312.20893
ΔH_f, kcal/mol:	41.5
Dipole, Da:	1.64
IP(EA), eV:	-8.69(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-methylspiro[1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-oxolane]-3-one

Drug info:

PubChemData

Smile

CC(C1=CC=CC2=CC=CC=C21)NC3CCCC(C3)C4CC=CC=C4

DOS

IR

Vibrations