Geometry & MOs

Info

ID:	305684
PubChem CID:	124965509
Reduced:	O3N4C18H24 (1)
Stoich.:	A3B4C18D24 (1)
Weight, g/mol:	453.262757
ΔH_f, kcal/mol:	-53.67
Dipole, Da:	4.17
IP(EA), eV:	-8.87(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-[(1S,4R,5S,6S,8R)-4-(dimethylamino)-5-hydroxy-6-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-1-yl]-2-hydroxyethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=C1)C(=O)N2CCO[C@@H](C2)CCC3=CC(=NC=C3)N

DOS

IR

Vibrations