Geometry & MOs

Info

ID:	420735
PubChem CID:	135114740
Reduced:	O3N4C23H36 (1)
Stoich.:	A3B4C23D36 (1)
Weight, g/mol:	372.168522
ΔH_f, kcal/mol:	-136.23
Dipole, Da:	5.24
IP(EA), eV:	-8.41(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2CCN(CC2)CC(=O)N[C@]3(CC4(CCNCC4)OC[C@@H]3O)C

DOS

IR

Vibrations