Geometry & MOs

Info

ID:	255860
PubChem CID:	103135240
Reduced:	NO3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	279.154704
ΔH_f, kcal/mol:	-103.69
Dipole, Da:	7.4
IP(EA), eV:	-8.98(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C=C(C3=CC=CC=C32)C(=O)O

DOS

IR

Vibrations