Geometry & MOs

Info

ID:	416049
PubChem CID:	135089054
Reduced:	O2N3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	358.189257
ΔH_f, kcal/mol:	-59.12
Dipole, Da:	5.57
IP(EA), eV:	-9.14(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-4-(4-methoxyphenyl)butan-1-one

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)C(=O)N(CCO)CC2=CN=CN2C

DOS

IR

Vibrations