Geometry & MOs

Info

ID:	362923
PubChem CID:	127309859
Reduced:	O3N5C19H29 (1)
Stoich.:	A3B5C19D29 (1)
Weight, g/mol:	380.289974
ΔH_f, kcal/mol:	-102.64
Dipole, Da:	4.38
IP(EA), eV:	-8.04(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)NC2=CC(=C(C=C2)OC)N3CCCC3=O)C

DOS

IR

Vibrations