Geometry & MOs

Info

ID:	368716
PubChem CID:	127329925
Reduced:	ClON5C20H26 (1)
Stoich.:	ABC5D20E26 (1)
Weight, g/mol:	370.258006
ΔH_f, kcal/mol:	-10.37
Dipole, Da:	3.89
IP(EA), eV:	-9.38(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,4-dioxan-2-ylmethyl)-4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(N(CC1)C(=O)NCC2=NN=C3N2CCCC3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations