Geometry & MOs

Info

ID:	324798
PubChem CID:	126678370
Reduced:	NO5C28H51 (1)
Stoich.:	AB5C28D51 (1)
Weight, g/mol:	269.04153
ΔH_f, kcal/mol:	-312.18
Dipole, Da:	5.17
IP(EA), eV:	-9.41(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-4-(4-bromophenyl)piperidin-3-yl]methanol

Drug info:

PubChemData

Smile

CCC(CC)CCOC(CC)(CC)CCC(=O)NC(CCC(=O)C)(CCC(=O)C)CCC(=O)C

DOS

IR

Vibrations