Geometry & MOs

Info

ID:	414380
PubChem CID:	135087336
Reduced:	N3O4C19H23 (1)
Stoich.:	A3B4C19D23 (1)
Weight, g/mol:	348.132136
ΔH_f, kcal/mol:	-121.55
Dipole, Da:	7.16
IP(EA), eV:	-8.62(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1S,5S)-7-(carboxymethyl)-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C(=O)N3C[C@H]([C@@H](C3)O)CC4=NNC(=C4)C)OCCO2

DOS

IR

Vibrations