Geometry & MOs

Info

ID:	422198
PubChem CID:	135117384
Reduced:	ClON5C14H18 (1)
Stoich.:	ABC5D14E18 (1)
Weight, g/mol:	366.121355
ΔH_f, kcal/mol:	30.57
Dipole, Da:	4.07
IP(EA), eV:	-9.2(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(difluoromethyl)-5-methylpyrrol-2-yl]-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1CCN2C=C(C=N2)Cl)O)CC3=NC=CN=C3

DOS

IR

Vibrations