Geometry & MOs

Info

ID:	422961
PubChem CID:	135118691
Reduced:	N2O3C22H36 (1)
Stoich.:	A2B3C22D36 (1)
Weight, g/mol:	305.148789
ΔH_f, kcal/mol:	-120.96
Dipole, Da:	3.43
IP(EA), eV:	-8.07(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)CC3=C(C(=CC=C3)OC)OCCN(C)C)O

DOS

IR

Vibrations