Geometry & MOs

Info

ID:	31650
PubChem CID:	855980
Reduced:	ClON5H12C15 (1)
Stoich.:	ABC5D12E15 (1)
Weight, g/mol:	297.103275
ΔH_f, kcal/mol:	75.75
Dipole, Da:	10.04
IP(EA), eV:	-9.28(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]aniline

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2Cl)N3C=NN=N3

DOS

IR

Vibrations