Geometry & MOs

Info

ID:	441751
PubChem CID:	135243334
Reduced:	NO5C29H35 (1)
Stoich.:	AB5C29D35 (1)
Weight, g/mol:	209.189198
ΔH_f, kcal/mol:	-190.66
Dipole, Da:	4.69
IP(EA), eV:	-8.51(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4,4-dimethylpentyl)piperazine-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1OC(=O)C(=C2)NC(=O)C3=CC(=C(C=C3)O)CC=C(C)C)OCCCC(C)(C)C

DOS

IR

Vibrations