Geometry & MOs

Info

ID:	421136
PubChem CID:	135115433
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	305.173942
ΔH_f, kcal/mol:	-51.4
Dipole, Da:	3.65
IP(EA), eV:	-8.87(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(3S,4R)-4-ethoxyoxolan-3-yl]amino]pyridin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C(=NO2)N3CCCC3)C(=O)N4C[C@@H]5CC[C@@H](C5)C4

DOS

IR

Vibrations