Geometry & MOs

Info

ID:	420097
PubChem CID:	135111118
Reduced:	N2O3C21H28 (1)
Stoich.:	A2B3C21D28 (1)
Weight, g/mol:	370.225643
ΔH_f, kcal/mol:	-114.83
Dipole, Da:	2.44
IP(EA), eV:	-8.98(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S)-2-[3-(2-methylphenoxy)azetidine-1-carbonyl]cyclohexyl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)N=CC=C2)CN3CCC4(CC3)[C@H]([C@](CCO4)(C)O)O

DOS

IR

Vibrations