Geometry & MOs

Info

ID:	270865
PubChem CID:	103638460
Reduced:	O2N4H12C13 (1)
Stoich.:	A2B4C12D13 (1)
Weight, g/mol:	212.152478
ΔH_f, kcal/mol:	-12.68
Dipole, Da:	2.98
IP(EA), eV:	-9.24(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoethyl)-N-propan-2-yl-2-propoxyacetamide

Drug info:

PubChemData

Smile

CN1C(=CC=N1)NC(=O)C2=CC3=C(C=C2)NC(=O)C3

DOS

IR

Vibrations