Geometry & MOs

Info

ID:	330587
PubChem CID:	127247994
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	338.210661
ΔH_f, kcal/mol:	5.03
Dipole, Da:	6.74
IP(EA), eV:	-8.8(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpyrrol-2-yl)-[2-[5-(pyrrolidin-1-ylmethyl)pyridin-2-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC=CN1CC(=O)N2CCCC2C3=NC=C(C=C3)CN4CCCC4

DOS

IR

Vibrations