Geometry & MOs

Info

ID:	417503
PubChem CID:	135096164
Reduced:	O2N3C13H19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	378.205576
ΔH_f, kcal/mol:	-45.03
Dipole, Da:	2.57
IP(EA), eV:	-9.32(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyrrolidin-1-yl-[6-(spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylamino)pyrazin-2-yl]methanone

Drug info:

PubChemData

Smile

C1CC2(C1)CC2C(=O)N(CCO)CC3=NC=CN3

DOS

IR

Vibrations