Geometry & MOs

Info

ID:	201334
PubChem CID:	79526282
Reduced:	N2O4C13H22 (1)
Stoich.:	A2B4C13D22 (1)
Weight, g/mol:	243.147058
ΔH_f, kcal/mol:	-199.71
Dipole, Da:	5.47
IP(EA), eV:	-9.71(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-methoxypropanoylamino)methyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations