Geometry & MOs

Info

ID:	420788
PubChem CID:	135114812
Reduced:	ClN2O4C18H21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	425.231456
ΔH_f, kcal/mol:	-101.29
Dipole, Da:	5.79
IP(EA), eV:	-9.41(-0.59)
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]-[1-(2-methylbenzoyl)piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations