Geometry & MOs

Info

ID:	323476
PubChem CID:	126674934
Reduced:	O3N5C29H29 (1)
Stoich.:	A3B5C29D29 (1)
Weight, g/mol:	280.287849
ΔH_f, kcal/mol:	-7.79
Dipole, Da:	6.6
IP(EA), eV:	-8.7(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-propan-2-yl-3-[(4R)-4-(3-propan-2-ylazetidin-1-yl)pentyl]pyrrolidine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CC(=C(N=C2)N)C(=O)N[C@H]3CCCC3OCC4=CC=C(C=C4)C5=CC=C(C=C5)C=O

DOS

IR

Vibrations