Geometry & MOs

Info

ID:	174164
PubChem CID:	75733346
Reduced:	N2O2C31H40 (1)
Stoich.:	A2B2C31D40 (1)
Weight, g/mol:	416.246378
ΔH_f, kcal/mol:	-67.97
Dipole, Da:	2.56
IP(EA), eV:	-8.91(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(butylamino)-2-oxo-1-phenanthren-9-ylethyl]-2-methyl-N-propylprop-2-enamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations