Geometry & MOs

Info

ID:	198049
PubChem CID:	79037834
Reduced:	N3O4C12H21 (1)
Stoich.:	A3B4C12D21 (1)
Weight, g/mol:	311.05209
ΔH_f, kcal/mol:	-198.28
Dipole, Da:	4.47
IP(EA), eV:	-9.61(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-1-[(4-bromophenyl)methyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCNC(=O)NC(=O)CN1CCC[C@@H](C1)C(=O)OC

DOS

IR

Vibrations