Geometry & MOs

Info

ID:	30690
PubChem CID:	841731
Reduced:	NO3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	251.224915
ΔH_f, kcal/mol:	-127.36
Dipole, Da:	3.92
IP(EA), eV:	-9.91(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-cyclopentylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)[C@@H]1[C@@H]2C[C@H]([C@H]1C(=O)O)C=C2

DOS

IR

Vibrations