Geometry & MOs

Info

ID:	419539
PubChem CID:	135108395
Reduced:	ClN2O2C18H21 (1)
Stoich.:	AB2C2D18E21 (1)
Weight, g/mol:	305.185175
ΔH_f, kcal/mol:	-45.29
Dipole, Da:	6.35
IP(EA), eV:	-8.8(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1CCOC2=CC=C(C=C2)Cl)O)CC3=CC=CC=N3

DOS

IR

Vibrations