Geometry & MOs

Info

ID:	282830
PubChem CID:	103941375
Reduced:	FNO2C16H24 (1)
Stoich.:	ABC2D16E24 (1)
Weight, g/mol:	299.093977
ΔH_f, kcal/mol:	-148.77
Dipole, Da:	4.53
IP(EA), eV:	-9.18(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(1S)-1-hydroxyethyl]-3-nitrothiophen-2-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)N(CC(C)C)C(=O)C1=C(C=C(C=C1)O)F

DOS

IR

Vibrations