Geometry & MOs

Info

ID:	418419
PubChem CID:	135104647
Reduced:	N5O7C36H45 (1)
Stoich.:	A5B7C36D45 (1)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	-234.34
Dipole, Da:	3.28
IP(EA), eV:	-8.76(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N1)C(=O)C3=CC=CO3)C)CC4=CC=C(C=C4)OC

DOS

IR

Vibrations