Geometry & MOs

Info

ID:	137509
PubChem CID:	52218010
Reduced:	O3N5C12H17 (1)
Stoich.:	A3B5C12D17 (1)
Weight, g/mol:	251.134385
ΔH_f, kcal/mol:	-89.47
Dipole, Da:	3.73
IP(EA), eV:	-9.69(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopentyl-N-[(3-methylthiophen-2-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NNC(=O)C1=CN=CC=C1)NC(=O)N

DOS

IR

Vibrations