Geometry & MOs

Info

ID:	370152
PubChem CID:	127337525
Reduced:	ON6C21H36 (1)
Stoich.:	AB6C21D36 (1)
Weight, g/mol:	389.267842
ΔH_f, kcal/mol:	-25.52
Dipole, Da:	6.49
IP(EA), eV:	-8.29(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,6-dimethylphenoxy)propan-2-yl]-4-(oxan-4-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CC(CN(C1)CC(C)NC(=O)N(C)C2CCCN(C2)C3=NN=CC=C3)C

DOS

IR

Vibrations