Geometry & MOs

Info

ID:	126001
PubChem CID:	50948148
Reduced:	ON4H14C16 (1)
Stoich.:	AB4C14D16 (1)
Weight, g/mol:	215.142248
ΔH_f, kcal/mol:	55.62
Dipole, Da:	5.4
IP(EA), eV:	-9.11(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methylpyrazol-1-yl)-N-propan-2-ylaniline

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N)N2C=CC(=N2)C3=CN=CC=C3

DOS

IR

Vibrations