Geometry & MOs

Info

ID:	423537
PubChem CID:	135119693
Reduced:	OSN3C19H25 (1)
Stoich.:	ABC3D19E25 (1)
Weight, g/mol:	338.195405
ΔH_f, kcal/mol:	4.85
Dipole, Da:	3.1
IP(EA), eV:	-8.52(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5S)-9-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)NCCCNC(=O)C2(CC2(C)C)C3=CC=CS3

DOS

IR

Vibrations