Geometry & MOs

Info

ID:	422020
PubChem CID:	135117020
Reduced:	N2O3C18H24 (1)
Stoich.:	A2B3C18D24 (1)
Weight, g/mol:	362.184172
ΔH_f, kcal/mol:	-61.01
Dipole, Da:	2.89
IP(EA), eV:	-9.24(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5R)-7-[2-(3,4-dimethylphenoxy)acetyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)CCOCC3=CC=CC=C3

DOS

IR

Vibrations