Geometry & MOs

Info

ID:	48456
PubChem CID:	10584935
Reduced:	OC15H22 (1)
Stoich.:	AB15C22 (1)
Weight, g/mol:	219.068414
ΔH_f, kcal/mol:	-18.87
Dipole, Da:	2.92
IP(EA), eV:	-9.68(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-aminotetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-one

Drug info:

PubChemData

Smile

C=CCCC/C=C\[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C=O

DOS

IR

Vibrations