Geometry & MOs

Info

ID:	133844
PubChem CID:	51600228
Reduced:	N5C16H26 (1)
Stoich.:	A5B16C26 (1)
Weight, g/mol:	298.159375
ΔH_f, kcal/mol:	78.54
Dipole, Da:	8.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753483
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[(1S)-1-(4-fluorophenyl)propyl]imidazol-4-yl]-1,3-dimethylpyrazole

Drug info:

PubChemData

Smile

CC1=NN(C=C1C2=CN=CN2CC[NH+](C)C3CCCC3)C

DOS

IR

Vibrations