Geometry & MOs

Info

ID:	205749
PubChem CID:	80150803
Reduced:	N3O4C13H23 (1)
Stoich.:	A3B4C13D23 (1)
Weight, g/mol:	280.160935
ΔH_f, kcal/mol:	-208.37
Dipole, Da:	5.23
IP(EA), eV:	-9.94(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cycloheptane-1-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)CNC(=O)NC1CCCCCC1C(=O)O

DOS

IR

Vibrations