Geometry & MOs

Info

ID:	423418
PubChem CID:	135119474
Reduced:	N3O3C18H31 (1)
Stoich.:	A3B3C18D31 (1)
Weight, g/mol:	363.158292
ΔH_f, kcal/mol:	-145.14
Dipole, Da:	4.2
IP(EA), eV:	-9.12(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyclopropyl-1,2-oxazol-5-yl)-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@@]1(CC2(CCN(CC2)CC3=CC(=NN3)C(C)(C)C)OC[C@@H]1O)O

DOS

IR

Vibrations