Geometry & MOs

Info

ID:	130231
PubChem CID:	51075331
Reduced:	FOSN4C17H19 (1)
Stoich.:	ABCD4E17F19 (1)
Weight, g/mol:	312.158626
ΔH_f, kcal/mol:	-17.05
Dipole, Da:	2.54
IP(EA), eV:	-8.92(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-phenyl-4-(1H-pyrrole-2-carbonylamino)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CN=C2)C(=O)CCSC3=CC=CC=C3F

DOS

IR

Vibrations