Geometry & MOs

Info

ID:	414654
PubChem CID:	135087613
Reduced:	N2O3C6H7 (2)
Stoich.:	A2B3C6D7 (2)
Weight, g/mol:	318.151433
ΔH_f, kcal/mol:	-147.46
Dipole, Da:	5.56
IP(EA), eV:	-10.19(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

Drug info:

PubChemData

Smile

CNC(=O)C1=NOC(=N1)CN2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O

DOS

IR

Vibrations