Geometry & MOs

Info

ID:	366684
PubChem CID:	127320213
Reduced:	FON6C20H27 (1)
Stoich.:	ABC6D20E27 (1)
Weight, g/mol:	319.237211
ΔH_f, kcal/mol:	-21.28
Dipole, Da:	6.33
IP(EA), eV:	-8.44(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-2-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=NC=CN2)CC(=O)N3CCN(CC3)C4=CC=CC=C4F

DOS

IR

Vibrations