Geometry & MOs

Info

ID:	25871
PubChem CID:	632191
Reduced:	OPN2C32H37 (1)
Stoich.:	ABC2D32E37 (1)
Weight, g/mol:	358.09938
ΔH_f, kcal/mol:	-23.16
Dipole, Da:	2.38
IP(EA), eV:	-7.72(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene-17,24-dione

Drug info:

PubChemData

Smile

CC1CCC(C(C1)OP2N(C3=C(C4=CC=CC=C4C=C3)C5=C(N2C)C=CC6=CC=CC=C65)C)C(C)C

DOS

IR

Vibrations