Geometry & MOs

Info

ID:	370810
PubChem CID:	127340625
Reduced:	SN2O3C20H30 (1)
Stoich.:	AB2C3D20E30 (1)
Weight, g/mol:	279.231063
ΔH_f, kcal/mol:	-125.73
Dipole, Da:	5.52
IP(EA), eV:	-8.72(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclopentyl-1,4-diazepan-1-yl)-(1-methylpyrrolidin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CCCN(CC2)C3CCCC3

DOS

IR

Vibrations