Geometry & MOs

Info

ID:	427689
PubChem CID:	135161336
Reduced:	ClN5C18H24 (1)
Stoich.:	AB5C18D24 (1)
Weight, g/mol:	401.140723
ΔH_f, kcal/mol:	51.89
Dipole, Da:	1.38
IP(EA), eV:	-8.29(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-2-amino-1-chloro-2-phenylethenyl]-5-phenyl-2-(pyridin-4-ylmethyl)pyrazol-3-amine

Drug info:

PubChemData

Smile

CC1=NN(C(=C1/C(=C(/C2=CC=CC=C2)\N)/Cl)N)CCN3CCCC3

DOS

IR

Vibrations