Geometry & MOs

Info

ID:	189486
PubChem CID:	77864695
Reduced:	O2N8C23H27 (1)
Stoich.:	A2B8C23D27 (1)
Weight, g/mol:	281.271865
ΔH_f, kcal/mol:	33.93
Dipole, Da:	7.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.861087
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclopropylmethyl)-3-ethyl-4-methyl-2-(2-methylpentyl)piperidin-3-ol

Drug info:

PubChemData

Smile

CCN1C2C(=NC1=[N+](C)CC(C)N)N(C(=O)N(C2=O)CC3=C(C4=CC=CC=C4C=N3)C#N)C

DOS

IR

Vibrations