Geometry & MOs

Info

ID:	45886
PubChem CID:	10518715
Reduced:	O3C8H9 (2)
Stoich.:	A3B8C9 (2)
Weight, g/mol:	306.132805
ΔH_f, kcal/mol:	-192.34
Dipole, Da:	3.31
IP(EA), eV:	-10.2(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(1-methylcyclohexyl)methylideneamino]-2,4-dinitroaniline

Drug info:

PubChemData

Smile

COC(=O)/C=C/[C@@H](C[C@H]1[C@@H](O1)CO)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations