Geometry & MOs

Info

ID:	421632
PubChem CID:	135116323
Reduced:	N3C19H25 (1)
Stoich.:	A3B19C25 (1)
Weight, g/mol:	315.194677
ΔH_f, kcal/mol:	35.68
Dipole, Da:	1.33
IP(EA), eV:	-8.86(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[[4-(2-aminoethyl)phenyl]methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CCCN(CC1=NC(=NC=C1)CC)C2CC3=CC=CC=C3C2

DOS

IR

Vibrations