Geometry & MOs

Info

ID:	178888
PubChem CID:	76397320
Reduced:	BrIN3O3H17C18 (1)
Stoich.:	ABC3D3E17F18 (1)
Weight, g/mol:	593.97973
ΔH_f, kcal/mol:	-32.89
Dipole, Da:	2.11
IP(EA), eV:	-9.03(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dibromo-6-[[2-[4-morpholin-4-yl-6-(3-nitroanilino)-1,3,5-triazin-2-yl]hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)I)NC(=O)CCC(=O)NNC=C2C=C(C=CC2=O)Br

DOS

IR

Vibrations