Geometry & MOs

Info

ID:	393848
PubChem CID:	135021819
Reduced:	NO2H24C28 (2)
Stoich.:	AB2C24D28 (2)
Weight, g/mol:	245.177964
ΔH_f, kcal/mol:	-43.1
Dipole, Da:	0.65
IP(EA), eV:	-9.15(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2,3,3-trimethyl-N-[(1S)-1-phenylethyl]pent-4-enamide

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=CC=C1)C(C)C)N2C(=O)C3=CC=CC4=CC5=C(C=CC=C5C6=CC=CC7=C6C=C8C=CC=C9C8=C7C(=O)N(C9=O)C1=C(C=CC=C1C(C)C)C(C)C)C(=C43)C2=O

DOS

IR

Vibrations