Geometry & MOs

Info

ID:	124830
PubChem CID:	50897644
Reduced:	N2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	307.262363
ΔH_f, kcal/mol:	-7.61
Dipole, Da:	10.01
IP(EA), eV:	-9.29(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]piperazin-1-yl]ethanol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2[C@H]3[C@H]2[C@H]4CC[C@@H]3C4

DOS

IR

Vibrations