Geometry & MOs

Info

ID:	148572
PubChem CID:	53788240
Reduced:	N4C7H14 (1)
Stoich.:	A4B7C14 (1)
Weight, g/mol:	408.281701
ΔH_f, kcal/mol:	33.09
Dipole, Da:	3.43
IP(EA), eV:	-9.43(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene

Drug info:

PubChemData

Smile

CCC1=NNC(=N1)CN(C)C

DOS

IR

Vibrations