Geometry & MOs

Info

ID:	55658
PubChem CID:	17395748
Reduced:	N3H13C17 (1)
Stoich.:	A3B13C17 (1)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	106.96
Dipole, Da:	1.67
IP(EA), eV:	-8.54(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-4-(2-hydroxyphenyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)/C=C(\C#N)/C3=CC=CC=N3

DOS

IR

Vibrations