Geometry & MOs

Info

ID:	63073
PubChem CID:	26744199
Reduced:	O2N4C18H27 (1)
Stoich.:	A2B4C18D27 (1)
Weight, g/mol:	330.205576
ΔH_f, kcal/mol:	-0.72
Dipole, Da:	6.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.834708
Charge, e:	0

Chem-info

IUPAC name:

(3R,5S)-1-[[4-(dimethylamino)phenyl]methyl]-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)[C@@H]2C[C@H](C[NH+]2CC3=CC=C(C=C3)N(C)C)O

DOS

IR

Vibrations