Geometry & MOs

Info

ID:	284873
PubChem CID:	104079591
Reduced:	FN2O2C11H15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	261.129969
ΔH_f, kcal/mol:	-123.68
Dipole, Da:	3.42
IP(EA), eV:	-9.32(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethylsulfanylpropyl)-3-(1H-pyrazol-5-yl)aniline

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)CNCCOC(=O)N

DOS

IR

Vibrations