Geometry & MOs

Info

ID:	411003
PubChem CID:	135083808
Reduced:	NO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	217.146664
ΔH_f, kcal/mol:	-58.22
Dipole, Da:	5.54
IP(EA), eV:	-9.35(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-methyl-N-phenylhept-3-enamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)C1=CC=CC=C1)C(=O)N(C)C

DOS

IR

Vibrations