Geometry & MOs

Info

ID:	445899
PubChem CID:	135269893
Reduced:	O3N4H22C23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	496.183458
ΔH_f, kcal/mol:	-33.69
Dipole, Da:	2.13
IP(EA), eV:	-8.99(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzenecarboximidoyl 3-methyl-6-[4-[(3R)-3-(trifluoromethyl)piperazine-1-carbonyl]phenyl]pyrazine-2-carboximidate

Drug info:

PubChemData

Smile

CC1=NC=C(N=C1C(=O)NC2=CC=CC=C2)C3=CC(=CC=C3)C(=O)N4CCOCC4

DOS

IR

Vibrations