Geometry & MOs

Info

ID:	25663
PubChem CID:	628230
Reduced:	OC4H5 (6)
Stoich.:	AB4C5 (6)
Weight, g/mol:	310.121846
ΔH_f, kcal/mol:	-284.94
Dipole, Da:	2.76
IP(EA), eV:	-8.94(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-methyl-14-phenyl-11,12,16,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,13,15-octaene

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2C1(CC(C3C2CCC4=C3C=CC(=C4)OC(=O)C)OC(=O)C)C

DOS

IR

Vibrations