Geometry & MOs

Info

ID:	442980
PubChem CID:	135257231
Reduced:	N4O4H16C27 (1)
Stoich.:	A4B4C16D27 (1)
Weight, g/mol:	175.099714
ΔH_f, kcal/mol:	31.51
Dipole, Da:	8.32
IP(EA), eV:	-7.55(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,3,4,4a,9a-hexahydro-[1]benzofuro[2,3-b]pyridine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C=C(C=C3)C4=C5C(=C6C(=CC=CN6)C(=O)C5=O)NC=C4)C7=C2NC(=O)N7O

DOS

IR

Vibrations