Geometry & MOs

Info

ID:	172483
PubChem CID:	75514625
Reduced:	ClN4O4C20H25 (1)
Stoich.:	AB4C4D20E25 (1)
Weight, g/mol:	384.179755
ΔH_f, kcal/mol:	-95.01
Dipole, Da:	6.23
IP(EA), eV:	-9.42(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-benzoyl-1,4-diazabicyclo[3.2.1]octan-2-yl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

COCC1=CC(=NO1)C(=O)NCC2CN(C3CCN2C3)C(=O)C4=CC=CC=C4.Cl

DOS

IR

Vibrations