Geometry & MOs

Info

ID:	343873
PubChem CID:	127267049
Reduced:	FO2N3C18H24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	290.190675
ΔH_f, kcal/mol:	-75.23
Dipole, Da:	4.65
IP(EA), eV:	-9.23(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]-3-N,3-N-dimethylbutane-1,3-diamine

Drug info:

PubChemData

Smile

C1CCOC(C1)OCCCNCC2=CC=NN2C3=CC=C(C=C3)F

DOS

IR

Vibrations