Geometry & MOs

Info

ID:	415342
PubChem CID:	135088336
Reduced:	FOSN6C18H19 (1)
Stoich.:	ABCD6E18F19 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	38.05
Dipole, Da:	6.37
IP(EA), eV:	-9.48(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-2-yl)-1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethanone

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)CCCN2N=C(N=N2)C3=CC=C(C=C3)F)C4=NC=CS4

DOS

IR

Vibrations