Geometry & MOs

Info

ID:	398197
PubChem CID:	135032285
Reduced:	NC10H19 (2)
Stoich.:	AB10C19 (2)
Weight, g/mol:	487.95983
ΔH_f, kcal/mol:	-66.32
Dipole, Da:	3.64
IP(EA), eV:	-8.84(3.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,14Z)-7,10-dibromopentacyclo[14.5.3.14,8.19,13.019,23]hexacosa-1(22),2,4(26),5,7,9,11,13(25),14,16(24),17,19(23),20-tridecaene

Drug info:

PubChemData

Smile

C1C[C@H](C[C@H](C1)CC[C@@H]2CCCNC2)CC[C@H]3CCCNC3

DOS

IR

Vibrations