Geometry & MOs

Info

ID:	440039
PubChem CID:	135229924
Reduced:	ON3C22H27 (1)
Stoich.:	AB3C22D27 (1)
Weight, g/mol:	520.196522
ΔH_f, kcal/mol:	24.13
Dipole, Da:	6.87
IP(EA), eV:	-8.48(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-1-[(E)-[1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-methylidenepiperazin-2-ylidene]amino]prop-1-enyl]-6-morpholin-4-ylpyridin-3-amine

Drug info:

PubChemData

Smile

CC/C(=C/1\C=CC=C\C1=N\C(=C(C)C)NC2=CC=CC=C2C(=O)NC)/C

DOS

IR

Vibrations