Geometry & MOs

Info

ID:	422360
PubChem CID:	135117693
Reduced:	O2N4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	324.12407
ΔH_f, kcal/mol:	-50.97
Dipole, Da:	4.03
IP(EA), eV:	-9.06(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[(3-chloro-4-ethoxyphenyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CCN1CC2=CC=CC=C2CC1C(=O)N(CCO)CC3=CN=C(N3)C

DOS

IR

Vibrations