Geometry & MOs

Info

ID:	174163
PubChem CID:	75733345
Reduced:	N2O2C29H34 (1)
Stoich.:	A2B2C29D34 (1)
Weight, g/mol:	472.308979
ΔH_f, kcal/mol:	-49.92
Dipole, Da:	1.08
IP(EA), eV:	-8.8(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[2-oxo-1-phenanthren-9-yl-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-N-propylprop-2-enamide

Drug info:

PubChemData

Smile

CCCN(C(C1=CC2=CC=CC=C2C3=CC=CC=C31)C(=O)NC4CCCCC4)C(=O)C(=C)C

DOS

IR

Vibrations