Geometry & MOs

Info

ID:	442605
PubChem CID:	135253301
Reduced:	Cl2N3H13C15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	289.134575
ΔH_f, kcal/mol:	60.35
Dipole, Da:	3.44
IP(EA), eV:	-8.71(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-N-(2-ethylbut-1-enyl)-5-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

CCC1=CN=C2C(=C1Cl)C(=NN2C3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations