Geometry & MOs

Info

ID:	418488
PubChem CID:	135105195
Reduced:	ON4C17H24 (1)
Stoich.:	AB4C17D24 (1)
Weight, g/mol:	380.173607
ΔH_f, kcal/mol:	-5.09
Dipole, Da:	4.44
IP(EA), eV:	-8.81(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)C(=O)CC2=CC=CC=C2

DOS

IR

Vibrations