Geometry & MOs

Info

ID:	306083
PubChem CID:	125001592
Reduced:	O2N5C26H31 (1)
Stoich.:	A2B5C26D31 (1)
Weight, g/mol:	281.152812
ΔH_f, kcal/mol:	-16.18
Dipole, Da:	4.68
IP(EA), eV:	-8.94(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-[2-(methylamino)pyridin-4-yl]pyrrolidin-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2CCCCC2)C(=O)N3CCOC[C@H](C3)CC4=CC5=C(C=C4)C=CN=C5

DOS

IR

Vibrations