Geometry & MOs

Info

ID:	255894
PubChem CID:	103135468
Reduced:	F2O4C15H16 (1)
Stoich.:	A2B4C15D16 (1)
Weight, g/mol:	233.098669
ΔH_f, kcal/mol:	-230.68
Dipole, Da:	5.75
IP(EA), eV:	-9.55(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpyrazol-3-yl)-(4-methylsulfanylphenyl)methanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=C(C=C(C=C2F)/C=C/C(=O)O)F

DOS

IR

Vibrations