Geometry & MOs

Info

ID:	410534
PubChem CID:	135083332
Reduced:	OC15H22 (2)
Stoich.:	AB15C22 (2)
Weight, g/mol:	356.152478
ΔH_f, kcal/mol:	-75.89
Dipole, Da:	0.54
IP(EA), eV:	-9.5(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-methyl-N-[2-(12-oxo-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,13,15-octaen-10-yl)ethyl]but-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1[O])C(C)(C)C)CCC2=CC(=C(C(=C2)C(C)(C)C)[O])C(C)(C)C

DOS

IR

Vibrations