Geometry & MOs

Info

ID:	79270
PubChem CID:	49747742
Reduced:	NO2C13H17 (2)
Stoich.:	AB2C13D17 (2)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	-132.74
Dipole, Da:	7.38
IP(EA), eV:	-8.92(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CNC(=O)C2(CCOCC2)C3=CC=CC=C3OC)N4CCOCC4

DOS

IR

Vibrations