Geometry & MOs

Info

ID:	279061
PubChem CID:	103840855
Reduced:	OF2N2C7H12 (1)
Stoich.:	AB2C2D7E12 (1)
Weight, g/mol:	180.126263
ΔH_f, kcal/mol:	-149.71
Dipole, Da:	1.31
IP(EA), eV:	-9.44(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(pyrrolidin-3-ylmethyl)pent-4-ynamide

Drug info:

PubChemData

Smile

C1CNCC1CNC(=O)C(F)F

DOS

IR

Vibrations