Geometry & MOs

Info

ID:	421294
PubChem CID:	135115732
Reduced:	O2N3C23H25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	-7.18
Dipole, Da:	1.55
IP(EA), eV:	-8.44(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=NN=C(C2=CC=CC=C12)N3CCC4(CC3)C5=C(CCO4)C=CC=C5OC

DOS

IR

Vibrations