Geometry & MOs

Info

ID:	8862
PubChem CID:	82653
Reduced:	NO3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	199.120843
ΔH_f, kcal/mol:	-163.22
Dipole, Da:	5.09
IP(EA), eV:	-9.96(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(acetamidomethyl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)NCC1CCC(CC1)C(=O)O

DOS

IR

Vibrations