Geometry & MOs

Info

ID:	229527
PubChem CID:	87567940
Reduced:	NO2C4H8 (4)
Stoich.:	AB2C4D8 (4)
Weight, g/mol:	376.92211
ΔH_f, kcal/mol:	-353.1
Dipole, Da:	5.03
IP(EA), eV:	-8.78(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5R)-2-bromo-4-(2,4-dichlorophenyl)-5-nitrocyclohexene-1-carbaldehyde

Drug info:

PubChemData

Smile

CC(C)(C(=O)O)N(N)N(CCCC(=O)O)CCCC(=O)O.CN(C)CC(=O)O

DOS

IR

Vibrations