Geometry & MOs

Info

ID:	423329
PubChem CID:	135119318
Reduced:	ClO2N4C19H27 (1)
Stoich.:	AB2C4D19E27 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-56.8
Dipole, Da:	4.25
IP(EA), eV:	-8.68(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C(=O)N(CCN(C)C)CC2=C(NC=N2)C)Cl

DOS

IR

Vibrations