Geometry & MOs

Info

ID:	143085
PubChem CID:	53144043
Reduced:	N2C9H10 (2)
Stoich.:	A2B9C10 (2)
Weight, g/mol:	319.168462
ΔH_f, kcal/mol:	87.1
Dipole, Da:	2.33
IP(EA), eV:	-8.77(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]phenyl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)CNCC3=CN=CC=C3

DOS

IR

Vibrations