Geometry & MOs

Info

ID:	419295
PubChem CID:	135107907
Reduced:	ClON5C21H22 (1)
Stoich.:	ABC5D21E22 (1)
Weight, g/mol:	367.200825
ΔH_f, kcal/mol:	24.07
Dipole, Da:	2.29
IP(EA), eV:	-9.14(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-2-[4-(5-methyltetrazol-1-yl)phenyl]ethanone

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)CC4=CC(=O)N5C=C(C=CC5=N4)Cl

DOS

IR

Vibrations