Geometry & MOs

Info

ID:	280877
PubChem CID:	103851718
Reduced:	ClFNOC16H17 (1)
Stoich.:	ABCDE16F17 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	-48.66
Dipole, Da:	3.14
IP(EA), eV:	-9.39(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxy-1-phenylethanamine

Drug info:

PubChemData

Smile

COCC(C1=CC=CC=C1)NCC2=CC(=C(C=C2)F)Cl

DOS

IR

Vibrations