Geometry & MOs

Info

ID:	255938
PubChem CID:	103135745
Reduced:	NO3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	265.139054
ΔH_f, kcal/mol:	-152.35
Dipole, Da:	1.84
IP(EA), eV:	-8.96(1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-difluoro-5-methylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)COCC2CNCC(O2)C

DOS

IR

Vibrations