Geometry & MOs

Info

ID:	418273
PubChem CID:	135104038
Reduced:	O2N4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	314.163043
ΔH_f, kcal/mol:	-7.94
Dipole, Da:	3.47
IP(EA), eV:	-9.21(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(=O)C)N2CCCC(C2)C3=NC4=CC=CC=C4O3

DOS

IR

Vibrations