Geometry & MOs

Info

ID:	419991
PubChem CID:	135110607
Reduced:	N2O2C21H34 (1)
Stoich.:	A2B2C21D34 (1)
Weight, g/mol:	408.179755
ΔH_f, kcal/mol:	-94.63
Dipole, Da:	4.81
IP(EA), eV:	-8.69(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1CN2CC[C@]3(CCCN([C@@H]3C2)C)CO)C)C)OC

DOS

IR

Vibrations