Geometry & MOs

Info

ID:	179243
PubChem CID:	76455531
Reduced:	NO3C25H29 (1)
Stoich.:	AB3C25D29 (1)
Weight, g/mol:	497.308711
ΔH_f, kcal/mol:	-105.81
Dipole, Da:	3.74
IP(EA), eV:	-8.88(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)N2CCC3(CC(=O)CCC3C2)C4=CC(=CC=C4)OC)C

DOS

IR

Vibrations