Geometry & MOs

Info

ID:	417927
PubChem CID:	135103080
Reduced:	O2N5C13H19 (1)
Stoich.:	A2B5C13D19 (1)
Weight, g/mol:	340.166604
ΔH_f, kcal/mol:	12.74
Dipole, Da:	10.47
IP(EA), eV:	-9.59(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)CCN3C=NN=C3

DOS

IR

Vibrations