Geometry & MOs

Info

ID:	366891
PubChem CID:	127321793
Reduced:	N2O4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-132.91
Dipole, Da:	1.58
IP(EA), eV:	-9.04(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-azaspiro[5.5]undec-9-en-2-yl)-3-(3-methoxyphenyl)-2-(5-methyltetrazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=CC3=C(C=C2)OCO3)C(=O)N4CCCC5(C4)CCC=CC5

DOS

IR

Vibrations