Geometry & MOs

Info

ID:	25196
PubChem CID:	620934
Reduced:	OCl2N7C25H31 (1)
Stoich.:	AB2C7D25E31 (1)
Weight, g/mol:	484.183458
ΔH_f, kcal/mol:	30.24
Dipole, Da:	7.98
IP(EA), eV:	-8.41(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N,N-dimethyl-3-[4-[4-[[4-(2,2,2-trifluoroacetyl)phenyl]diazenyl]phenyl]piperazin-1-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CCN(CC)CC1=C(C=CC(=C1)NC2=NC(=NC(=C2)C)N=C(N)NC3=CC(=C(C=C3)Cl)Cl)OCC

DOS

IR

Vibrations