Geometry & MOs

Info

ID:	370138
PubChem CID:	127337509
Reduced:	ON5C19H31 (1)
Stoich.:	AB5C19D31 (1)
Weight, g/mol:	375.252192
ΔH_f, kcal/mol:	-40.98
Dipole, Da:	2.28
IP(EA), eV:	-8.68(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,5-dimethylphenoxy)ethyl]-4-(oxan-4-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCC(C1)CNC(=O)NC2CCCN(C2)C3=NN=C(C=C3)C

DOS

IR

Vibrations