Geometry & MOs

Info

ID:	334581
PubChem CID:	127253256
Reduced:	O9H20C28 (1)
Stoich.:	A9B20C28 (1)
Weight, g/mol:	477.262757
ΔH_f, kcal/mol:	-245.56
Dipole, Da:	7.16
IP(EA), eV:	-8.52(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-ylmethyl)-4-[(9R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene-3-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

COC(=O)CC1=C(OC2=C(C(=C3C(=O)C=C(OC3=C12)C4=CC=CC=C4)O)O)C5=CC6=C(C=C5)OCCO6

DOS

IR

Vibrations