Geometry & MOs

Info

ID:	306965
PubChem CID:	125264458
Reduced:	N4O4C21H26 (1)
Stoich.:	A4B4C21D26 (1)
Weight, g/mol:	297.147727
ΔH_f, kcal/mol:	-60.24
Dipole, Da:	8.77
IP(EA), eV:	-8.75(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7aR)-1-(furan-3-ylmethyl)-4-pyridin-3-yl-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one

Drug info:

PubChemData

Smile

C[C@H]1C(=C(N=N1)C)/C(=C\2/[C@@H](N(C(=O)C2=O)CCN(C)C)C3=CC=CC=C3OC)/O

DOS

IR

Vibrations