Geometry & MOs

Info

ID:	255301
PubChem CID:	103131241
Reduced:	SN4C14H16 (1)
Stoich.:	AB4C14D16 (1)
Weight, g/mol:	263.14339
ΔH_f, kcal/mol:	91.11
Dipole, Da:	3.47
IP(EA), eV:	-8.81(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-fluoro-4-methoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCNC(C1=NN(C=C1)C)C2=CC3=C(C=CS3)N=C2

DOS

IR

Vibrations