Geometry & MOs

Info

ID:	416991
PubChem CID:	135090999
Reduced:	O2N3C21H25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	378.194343
ΔH_f, kcal/mol:	-37.83
Dipole, Da:	3.11
IP(EA), eV:	-9.2(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-9-methyl-7-[2-[(4-methylphenyl)methyl]benzoyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

COCCC(=O)N1CCCC2(C1)CCC3=CN=C(N=C23)C4=CC=CC=C4

DOS

IR

Vibrations