Geometry & MOs

Info

ID:	330586
PubChem CID:	127247993
Reduced:	OSN5C18H25 (1)
Stoich.:	ABC5D18E25 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	27.16
Dipole, Da:	5.6
IP(EA), eV:	-9.04(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylimidazol-1-yl)-1-[2-[5-(pyrrolidin-1-ylmethyl)pyridin-2-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCCC1=C(SN=N1)C(=O)N2CCCC2C3=CC=CC(=N3)CN(C)C

DOS

IR

Vibrations