Geometry & MOs

Info

ID:	308209
PubChem CID:	125317257
Reduced:	O5N6C12H12 (1)
Stoich.:	A5B6C12D12 (1)
Weight, g/mol:	297.111341
ΔH_f, kcal/mol:	16.37
Dipole, Da:	8.67
IP(EA), eV:	-9.04(-2.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(2S)-2,3-dihydrofuran-2-yl]methyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N=C(N=N1)NNC=C2C=C(C=C(C2=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations