Geometry & MOs

Info

ID:	29642
PubChem CID:	836028
Reduced:	N4O4H14C15 (1)
Stoich.:	A4B4C14D15 (1)
Weight, g/mol:	231.162314
ΔH_f, kcal/mol:	-79.34
Dipole, Da:	4.88
IP(EA), eV:	-9.12(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)NC1=O)N3C[C@@H](OC3=N2)COC4=CC=CC=C4

DOS

IR

Vibrations