Geometry & MOs

Info

ID:	420998
PubChem CID:	135115180
Reduced:	ON4C18H26 (1)
Stoich.:	AB4C18D26 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	-13.58
Dipole, Da:	4.75
IP(EA), eV:	-8.88(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C(C)N(C)CCC2=C(NN=C2C)C

DOS

IR

Vibrations