Geometry & MOs

Info

ID:	414555
PubChem CID:	135087514
Reduced:	O3N4C20H20 (1)
Stoich.:	A3B4C20D20 (1)
Weight, g/mol:	251.199762
ΔH_f, kcal/mol:	-58.58
Dipole, Da:	5.76
IP(EA), eV:	-9.47(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-ethylimidazol-4-yl)methyl]-3-propoxypiperidine

Drug info:

PubChemData

Smile

CC1=CC=CC2=NC=C(C(=O)N12)C(=O)N3C[C@H]([C@H](C3)O)CC4=CC=NC=C4

DOS

IR

Vibrations