Geometry & MOs

Info

ID:	420930
PubChem CID:	135115054
Reduced:	O2N3C17H23 (1)
Stoich.:	A2B3C17D23 (1)
Weight, g/mol:	380.184841
ΔH_f, kcal/mol:	-60.55
Dipole, Da:	5.74
IP(EA), eV:	-8.97(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)C(=O)C2=CC=CC(=C2)C(C)C

DOS

IR

Vibrations