Geometry & MOs

Info

ID:	350894
PubChem CID:	127279182
Reduced:	O2N5C19H27 (1)
Stoich.:	A2B5C19D27 (1)
Weight, g/mol:	380.173607
ΔH_f, kcal/mol:	1.47
Dipole, Da:	7.34
IP(EA), eV:	-8.8(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)N1C(=NN=N1)CN(CC2=CC3=C(C=C2)OCO3)C4CCCCC4

DOS

IR

Vibrations