Geometry & MOs

Info

ID:	345748
PubChem CID:	127270048
Reduced:	N3O3C18H31 (1)
Stoich.:	A3B3C18D31 (1)
Weight, g/mol:	357.241627
ΔH_f, kcal/mol:	-148.73
Dipole, Da:	1.47
IP(EA), eV:	-9.1(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[4-(cycloheptanecarbonyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)C(=O)N2CCN(CC2)C(=O)CN3CCOCC3

DOS

IR

Vibrations