Geometry & MOs

Info

ID:	419269
PubChem CID:	135107872
Reduced:	ClO2N4C13H19 (1)
Stoich.:	AB2C4D13E19 (1)
Weight, g/mol:	303.133139
ΔH_f, kcal/mol:	7.16
Dipole, Da:	5.25
IP(EA), eV:	-8.98(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(aminomethyl)-1,3-oxazol-4-yl]-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)CN2C[C@@H]3COC[C@H](C2)N(C3=O)C)Cl

DOS

IR

Vibrations