Geometry & MOs

Info

ID:	130868
PubChem CID:	51119253
Reduced:	ClOSN2C17H25 (1)
Stoich.:	ABCD2E17F25 (1)
Weight, g/mol:	376.082599
ΔH_f, kcal/mol:	-53.05
Dipole, Da:	4.18
IP(EA), eV:	-8.73(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-chloro-1,3-benzodioxol-5-yl)methyl 5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)NC(=O)C(C)SC2=CC=CC=C2Cl

DOS

IR

Vibrations