Geometry & MOs

Info

ID:	80483
PubChem CID:	49834680
Reduced:	FO2N4C26H29 (1)
Stoich.:	AB2C4D26E29 (1)
Weight, g/mol:	411.252192
ΔH_f, kcal/mol:	-86.98
Dipole, Da:	4.55
IP(EA), eV:	-8.77(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3R,4R)-3-N-(furan-2-ylmethyl)-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide

Drug info:

PubChemData

Smile

CC1=NC2=C(N1)C=C(C=C2)C3=CC4=C(C=C3)OCCN(C4)C(=O)N5C6CCC5CC(C6)(C)F

DOS

IR

Vibrations