Geometry & MOs

Info

ID:	206396
PubChem CID:	80244455
Reduced:	OSN2C15H18 (1)
Stoich.:	ABC2D15E18 (1)
Weight, g/mol:	278.145285
ΔH_f, kcal/mol:	-12.69
Dipole, Da:	4.77
IP(EA), eV:	-8.57(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-[(3-ethylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)CNC(=O)C2=C(C(=CC=C2)N)C

DOS

IR

Vibrations