Geometry & MOs

Info

ID:	414867
PubChem CID:	135087839
Reduced:	OSN3C16H21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	401.231456
ΔH_f, kcal/mol:	10.55
Dipole, Da:	3.66
IP(EA), eV:	-9.15(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN(CC2CCCO2)CC3=CC=CC=N3

DOS

IR

Vibrations