Geometry & MOs

Info

ID:	198825
PubChem CID:	79156662
Reduced:	NO4C15H15 (1)
Stoich.:	AB4C15D15 (1)
Weight, g/mol:	292.226312
ΔH_f, kcal/mol:	-107.07
Dipole, Da:	6.25
IP(EA), eV:	-9.01(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(azepane-1-carbonyl)piperazin-1-yl]pentanenitrile

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)OCCOC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations