Geometry & MOs

Info

ID:	183912
PubChem CID:	77089089
Reduced:	N2O2C19H26 (1)
Stoich.:	A2B2C19D26 (1)
Weight, g/mol:	304.226312
ΔH_f, kcal/mol:	-52.82
Dipole, Da:	0.79
IP(EA), eV:	-8.49(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1-oxa-9-azaspiro[4.6]undecane

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N=C(C=C2)CN3CCCC(C3)COC

DOS

IR

Vibrations