Geometry & MOs

Info

ID:	12594
PubChem CID:	141317
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	-121.25
Dipole, Da:	6.93
IP(EA), eV:	-10.25(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzamidocyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(C(C1)C(=O)O)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations