Geometry & MOs

Info

ID:	60413
PubChem CID:	26684853
Reduced:	N2O6C25H30 (1)
Stoich.:	A2B6C25D30 (1)
Weight, g/mol:	337.167794
ΔH_f, kcal/mol:	-193.1
Dipole, Da:	2.46
IP(EA), eV:	-8.16(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(E)-3-oxo-3-[[(2R)-2-phenylbutyl]amino]prop-1-enyl]benzoate

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1NC(=O)/C=C/C2=CC=C(C=C2)C(=O)OC)OCC)N3CCOCC3

DOS

IR

Vibrations