Geometry & MOs

Info

ID:	69791
PubChem CID:	47205404
Reduced:	ON3C14H15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	261.12774
ΔH_f, kcal/mol:	61.76
Dipole, Da:	5.28
IP(EA), eV:	-8.49(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)ethyl]-2-imidazol-1-ylpropanamide

Drug info:

PubChemData

Smile

CC1=NN(CC1)C2=CC=C(C=C2)C(=O)NCC#C

DOS

IR

Vibrations