Geometry & MOs

Info

ID:	422884
PubChem CID:	135118565
Reduced:	ON3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	370.189257
ΔH_f, kcal/mol:	-26.57
Dipole, Da:	2.11
IP(EA), eV:	-9.03(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3R,4R)-4-methoxy-1-[(8-methoxy-2H-chromen-3-yl)methyl]pyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)CC(C)NC(=O)C2=CC=CN2C(C)C

DOS

IR

Vibrations