Geometry & MOs

Info

ID:	128959
PubChem CID:	51064212
Reduced:	Br2O3N8H20C24 (1)
Stoich.:	A2B3C8D20E24 (1)
Weight, g/mol:	532.9136
ΔH_f, kcal/mol:	107.98
Dipole, Da:	11.66
IP(EA), eV:	-9.02(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]-2-(2,4,5-tribromoanilino)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC2=NC(=NC(=N2)NC3=CC=C(C=C3)[N+](=O)[O-])NN/C=C\4/C=C(C=C(C4=O)Br)Br)C

DOS

IR

Vibrations