Geometry & MOs

Info

ID:	417097
PubChem CID:	135091366
Reduced:	ClO2N3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	247.168462
ΔH_f, kcal/mol:	-62.31
Dipole, Da:	5.61
IP(EA), eV:	-9.09(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-9-(1H-pyrazol-5-ylmethyl)-1-oxa-9-azaspiro[5.5]undec-4-ene

Drug info:

PubChemData

Smile

CN(CC1=CC(=O)N2C=C(C=CC2=N1)Cl)C3C[C@@H]4CC(C[C@@H]4C3)O

DOS

IR

Vibrations