Geometry & MOs

Info

ID:	255929
PubChem CID:	103135703
Reduced:	NO2C14H27 (1)
Stoich.:	AB2C14D27 (1)
Weight, g/mol:	267.093853
ΔH_f, kcal/mol:	-124.64
Dipole, Da:	2.29
IP(EA), eV:	-9.21(1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-6-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)COCC2(CCCCCC2)N

DOS

IR

Vibrations