Geometry & MOs

Info

ID:	205752
PubChem CID:	80151359
Reduced:	N3O3C14H25 (1)
Stoich.:	A3B3C14D25 (1)
Weight, g/mol:	256.215078
ΔH_f, kcal/mol:	-159.94
Dipole, Da:	6.37
IP(EA), eV:	-8.98(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-butyl-N-(2-hydroxyethyl)cycloheptane-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCC(C1)NC(=O)NC2CCCCCC2C(=O)O

DOS

IR

Vibrations