Geometry & MOs

Info

ID:	335481
PubChem CID:	127254343
Reduced:	N2O3H18C22 (1)
Stoich.:	A2B3C18D22 (1)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	14.09
Dipole, Da:	3.29
IP(EA), eV:	-8.46(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-(2-pyridin-4-ylethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C\COC2=CC(=C(C=C2)O)C3=C(NN=C3)C4=CC=CO4

DOS

IR

Vibrations