Geometry & MOs

Info

ID:	356703
PubChem CID:	127292184
Reduced:	ON5C19H33 (1)
Stoich.:	AB5C19D33 (1)
Weight, g/mol:	310.236876
ΔH_f, kcal/mol:	-42.31
Dipole, Da:	5.2
IP(EA), eV:	-8.69(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(dimethylamino)cycloheptyl]methyl]-2-methyl-3-oxopiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1(CCCCCC1)CNC(=O)N2CCCCC2C3=NC=CN3

DOS

IR

Vibrations