Geometry & MOs

Info

ID:	35678
PubChem CID:	7980188
Reduced:	N3O4C18H21 (1)
Stoich.:	A3B4C18D21 (1)
Weight, g/mol:	324.111007
ΔH_f, kcal/mol:	-100.69
Dipole, Da:	4.16
IP(EA), eV:	-9.42(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

C1CCC(C1)N2C(=CC=N2)NC(=O)COC(=O)COC3=CC=CC=C3

DOS

IR

Vibrations