Geometry & MOs

Info

ID:	336355
PubChem CID:	127255362
Reduced:	P2N7O14C21H27 (1)
Stoich.:	A2B7C14D21E27 (1)
Weight, g/mol:	226.087291
ΔH_f, kcal/mol:	-627.28
Dipole, Da:	11.15
IP(EA), eV:	-9.28(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

spiro[3H-furo[3,4-c]pyridine-1,4'-piperidine];hydrochloride

Drug info:

PubChemData

Smile

C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N

DOS

IR

Vibrations