Geometry & MOs

Info

ID:	309186
PubChem CID:	126539738
Reduced:	ON3C17H35 (1)
Stoich.:	AB3C17D35 (1)
Weight, g/mol:	395.257277
ΔH_f, kcal/mol:	-83.48
Dipole, Da:	2.81
IP(EA), eV:	-8.26(2.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-2-methoxyaniline

Drug info:

PubChemData

Smile

CC(C)CCN1CCN(CC1)C2(CCOC(C2)(C)C)CN

DOS

IR

Vibrations