Geometry & MOs

Info

ID:	366890
PubChem CID:	127321792
Reduced:	N3O3C22H25 (1)
Stoich.:	A3B3C22D25 (1)
Weight, g/mol:	396.204907
ΔH_f, kcal/mol:	-39.5
Dipole, Da:	2.16
IP(EA), eV:	-9.47(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-azaspiro[5.5]undec-9-en-2-yl-[1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]methanone

Drug info:

PubChemData

Smile

C1CC2(CCC=CC2)CN(C1)C(=O)CNC(=O)C3=NOC(=C3)C4=CC=CC=C4

DOS

IR

Vibrations