Geometry & MOs

Info

ID:	255905
PubChem CID:	103135535
Reduced:	O3C16H18 (1)
Stoich.:	A3B16C18 (1)
Weight, g/mol:	267.093853
ΔH_f, kcal/mol:	-104.86
Dipole, Da:	2.22
IP(EA), eV:	-8.74(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-3-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=CC3=C(C=CC(=C3)O)C=C2

DOS

IR

Vibrations