Geometry & MOs

Info

ID:	401375
PubChem CID:	135051090
Reduced:	N2O5C14H14 (1)
Stoich.:	A2B5C14D14 (1)
Weight, g/mol:	329.118257
ΔH_f, kcal/mol:	-76.97
Dipole, Da:	4.46
IP(EA), eV:	-9.8(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[N-(2-chloroprop-2-enyl)-2-phenylanilino]propanoate

Drug info:

PubChemData

Smile

COC(=O)C1C[C@@H]2[C@H](N1C(=O)OC)N=C3C2=CC(=O)C=C3

DOS

IR

Vibrations