Geometry & MOs

Info

ID:	146026
PubChem CID:	53624663
Reduced:	NO6H17C20 (1)
Stoich.:	AB6C17D20 (1)
Weight, g/mol:	317.153955
ΔH_f, kcal/mol:	-174.03
Dipole, Da:	6.01
IP(EA), eV:	-9.06(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(4-fluorophenyl)cyclobutyl]methylcarbamoylamino]-N-prop-2-ynylacetamide

Drug info:

PubChemData

Smile

CC(C(=O)O)OC1=CC=CC(=C1)/C=C/C(=O)C2=CC3=C(C=C2)OCC(=O)N3

DOS

IR

Vibrations