Geometry & MOs

Info

ID:	419838
PubChem CID:	135109322
Reduced:	N3O3C21H23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	364.163436
ΔH_f, kcal/mol:	-48.97
Dipole, Da:	2.97
IP(EA), eV:	-9.23(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C=C(C(=N2)C)C(=O)N3C[C@H]([C@H](C3)O)CC4=CC(=NO4)C

DOS

IR

Vibrations