Geometry & MOs

Info

ID:	308207
PubChem CID:	125317255
Reduced:	FN4H17C21 (1)
Stoich.:	AB4C17D21 (1)
Weight, g/mol:	320.086918
ΔH_f, kcal/mol:	77.09
Dipole, Da:	5.71
IP(EA), eV:	-9.23(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-3-[2-[(5-methoxy-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-6-methyl-6H-1,2,4-triazin-5-one

Drug info:

PubChemData

Smile

CC[C@H]1C(=C(C2=NC3=CC=CC=C3N2C1=NC4=CC=C(C=C4)F)C#N)C

DOS

IR

Vibrations