Geometry & MOs

Info

ID:	248312
PubChem CID:	103080501
Reduced:	N4O4C11H16 (1)
Stoich.:	A4B4C11D16 (1)
Weight, g/mol:	282.132805
ΔH_f, kcal/mol:	-33.38
Dipole, Da:	7.54
IP(EA), eV:	-9.04(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(1-methyl-4-nitropyrazol-3-yl)amino]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)CN(C1CC1)C2=NN(C=C2[N+](=O)[O-])C

DOS

IR

Vibrations