Geometry & MOs

Info

ID:	426177
PubChem CID:	135141964
Reduced:	ClO2N3C29H32 (1)
Stoich.:	AB2C3D29E32 (1)
Weight, g/mol:	281.283098
ΔH_f, kcal/mol:	-62.71
Dipole, Da:	1.74
IP(EA), eV:	-8.32(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-tert-butylpiperidin-4-yl)propan-2-yl]-4-methylpiperazine

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](C2=C(N1C(=O)C)C=CC(=C2)C3=CC(=CC=C3)NC(=O)C(C)(C)C)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations