Geometry & MOs

Info

ID:	208829
PubChem CID:	80591450
Reduced:	F2O2N3C12H13 (1)
Stoich.:	A2B2C3D12E13 (1)
Weight, g/mol:	223.132077
ΔH_f, kcal/mol:	-103.35
Dipole, Da:	2.01
IP(EA), eV:	-9.28(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-N-[(4-methylmorpholin-2-yl)methyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)(/C(=N\O)/N)C(=O)NC2=C(C=CC=C2F)F

DOS

IR

Vibrations