Geometry & MOs

Info

ID:	127201
PubChem CID:	50994293
Reduced:	N4O5C17H24 (1)
Stoich.:	A4B5C17D24 (1)
Weight, g/mol:	362.15902
ΔH_f, kcal/mol:	-73.51
Dipole, Da:	7.83
IP(EA), eV:	-9.4(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dinitro-5-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CCN(CC)C1=C(C=C(C(=C1)NC(=O)C2CCCCC2)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations