Geometry & MOs

Info

ID:	275849
PubChem CID:	103818400
Reduced:	ClNOF2H12C14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	281.164046
ΔH_f, kcal/mol:	-97.07
Dipole, Da:	4.8
IP(EA), eV:	-8.84(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-propan-2-ylpyrazol-4-yl)methyl]-3-pyrazol-1-ylaniline

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNC2=CC(=CC(=C2)Cl)F)F

DOS

IR

Vibrations