Geometry & MOs

Info

ID:	42688
PubChem CID:	8149868
Reduced:	FN4C21H35 (1)
Stoich.:	AB4C21D35 (1)
Weight, g/mol:	360.268925
ΔH_f, kcal/mol:	89.52
Dipole, Da:	12.6
IP(EA), eV:	-3.0(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-1-N,1-N-diethyl-4-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]pentane-1,4-diamine

Drug info:

PubChemData

Smile

CC[NH+](CC)CCC[C@H](C)[NH2+]CC1=C(N(N=C1C)C2=CC=C(C=C2)F)C

DOS

IR

Vibrations