Geometry & MOs

Info

ID:	278768
PubChem CID:	103837887
Reduced:	ON3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	221.152812
ΔH_f, kcal/mol:	-1.64
Dipole, Da:	5.28
IP(EA), eV:	-9.29(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2,2-dimethylcyclopropanecarbonyl)piperazin-1-yl]acetonitrile

Drug info:

PubChemData

Smile

CC1(CC1C(=O)N(C)CC2=CNN=C2)C

DOS

IR

Vibrations