Geometry & MOs

Info

ID:	416173
PubChem CID:	135089182
Reduced:	O2N4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	387.215806
ΔH_f, kcal/mol:	-88.62
Dipole, Da:	4.37
IP(EA), eV:	-8.76(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-9-methyl-7-[[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CCNC2=C(C=CC=N2)C(=O)N3CCCC3

DOS

IR

Vibrations