Geometry & MOs

Info

ID:	229858
PubChem CID:	87569377
Reduced:	O3N6C15H20 (1)
Stoich.:	A3B6C15D20 (1)
Weight, g/mol:	362.97179
ΔH_f, kcal/mol:	-60.13
Dipole, Da:	5.16
IP(EA), eV:	-9.09(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5R)-2-bromo-5-nitro-4-(2,4,5-trifluorophenyl)cyclohexene-1-carbaldehyde

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=CN=C2C(=N1)C(=NC(=N2)N)N3CCOCC3

DOS

IR

Vibrations