Geometry & MOs

Info

ID:	422399
PubChem CID:	135117766
Reduced:	FO2N3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	363.194677
ΔH_f, kcal/mol:	-89.48
Dipole, Da:	1.71
IP(EA), eV:	-9.08(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)C(=O)N2CCCN(CC2)C(=O)C3=CC=CN3C

DOS

IR

Vibrations