Geometry & MOs

Info

ID:	414562
PubChem CID:	135087521
Reduced:	O3N4C15H18 (1)
Stoich.:	A3B4C15D18 (1)
Weight, g/mol:	391.225977
ΔH_f, kcal/mol:	-48.38
Dipole, Da:	1.95
IP(EA), eV:	-8.99(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,4R)-2-benzyl-7-(pyridin-4-ylmethyl)-7-azabicyclo[2.2.1]heptan-2-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)C3=NC=C(C=C3)C(=O)N

DOS

IR

Vibrations