Geometry & MOs

Info

ID:	420247
PubChem CID:	135112047
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	378.215472
ΔH_f, kcal/mol:	-34.11
Dipole, Da:	4.4
IP(EA), eV:	-8.39(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5S)-9-[[3-(hydroxymethyl)-4-propoxyphenyl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CN=CC(=N1)N2CCC3(CC2)C4=C(CCO3)C=C(C=C4)OC

DOS

IR

Vibrations