Geometry & MOs

Info

ID:	287744
PubChem CID:	104293611
Reduced:	O3N4C14H18 (1)
Stoich.:	A3B4C14D18 (1)
Weight, g/mol:	170.141913
ΔH_f, kcal/mol:	9.24
Dipole, Da:	2.67
IP(EA), eV:	-9.54(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N,5-dimethylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCCNC(C)C1=NN=C(O1)C2=CC(=CC(=C2)C)[N+](=O)[O-]

DOS

IR

Vibrations