Geometry & MOs

Info

ID:	351057
PubChem CID:	127279494
Reduced:	O2N3C24H27 (1)
Stoich.:	A2B3C24D27 (1)
Weight, g/mol:	348.150764
ΔH_f, kcal/mol:	-38.17
Dipole, Da:	8.8
IP(EA), eV:	-8.35(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclobutyl-N-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)C2CCCN2C(=O)NC3=CC=CC(=C3)C(=O)N4CCC5=CC=CC=C54

DOS

IR

Vibrations