Geometry & MOs

Info

ID:	416930
PubChem CID:	135090807
Reduced:	SO2N3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	318.205576
ΔH_f, kcal/mol:	-53.07
Dipole, Da:	4.61
IP(EA), eV:	-8.83(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-morpholin-4-ylpropan-2-ylamino)pyridin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CCC(=O)N2CCC3(CC2)C4=C(CCO3)C=CS4

DOS

IR

Vibrations